A0A087XZ55_POEFO Loading...

N-acetylglucosamine-1-phosphotransferase subunits alpha/beta

Catalyzes the formation of mannose 6-phosphate (M6P) markers on high mannose type oligosaccharides in the Golgi apparatus. M6P residues are required to bind to the M6P receptors (MPR), which mediate the vesicular transport of lysosomal enzymes to the endosomal/prelysosomal compartment.

AlphaFold DB , UniProt , Accession A0A087XZ55, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,231 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
1M35.1Very low46.8Very low234 Ų234178.8 Ų178.8100%1.15381%0.814SS**  0161.40-74.9175.8168.100109.6
2Q37Very low47.8Very low180 Ų180171.4 Ų171.484%0.84179%0.791SS**  trans37.9100162.3-65.2173.7-9.100117.9
3R38.5Very low49.1Very low228 Ų228165.3 Ų165.386%0.8677%0.773SS**  69.8105.683.7-78.8-169.7171.7-179.2-1.5116.2
4Y42.5Very low50.3Low226 Ų226158.9 Ų158.989%0.88675%0.751SS**  trans38.495.2132.6-78.4-89.8000119.4
5A46.8Very low51.4Low99 Ų99153.7 Ų153.782%0.81873%0.73SS**  trans-14428.7168.100000115.2
6R52.3Low52.5Low234 Ų234148.6 Ų148.688%0.88372%0.715SS**  trans-139.213.1-176.6-112.4178.3-164.8-156.74.3122.2
7P51.3Low53.5Low88 Ų88144.6 Ų144.657%0.57170%0.702SS**SBendtrans-86.9-15.2176.733.8-34.7000115.6
8R49.3Very low54.5Low225 Ų225142 Ų14285%0.84969%0.692SS**Hα-helixtrans-77.5-19.4-169.5-95.6-173.6175.5-179-0.9117V12R8-V12 VanDerWaalsContact O-CG2 3.27Å; R8-V12 WeakPolarHBondContact O-CG2 3.49Å
9R53Low55.5Low222 Ų222142.5 Ų142.584%0.83869%0.69SS**Hα-helixtrans-85-44.9176.5-81.5-170.7176.7-177.1-0.1113M11 V12 V13R9-M11 PolarHBondContact O-N 3.37Å; R9-V12 PolarHBondContact O-N 3.29Å; R9-V13 PolarHBondContact O-N 3Å
10V55.4Low56.3Low101 Ų101140.9 Ų140.961%0.61268%0.684SS**Hα-helixtrans-61.7-46.2-178.1-1770000111.2V12 V13 V14V10-V12 VanDerWaalsContact C-N 3.27Å; V10-V12 PolarHBondContact O-N 2.94Å; V10-V13 PolarHBondContact O-N 3.15Å; V10-V13 VanDerWaalsContact O-N 3.17Å; V10-V14 HydrophobicContact CG1-CG2 4.24Å; V10-V14 WeakPolarHBondContact O-CG2 3.38Å; V10-V14 PolarHBondContact O-N 2.83Å
11M53.8Low57Low130 Ų130138.9 Ų138.964%0.6468%0.676SS**Hα-helixtrans-62.9-31.5179.6-167.4179.4-175.900113.2R9 N15R9-M11 PolarHBondContact O-N 3.37Å; M11-N15 VanDerWaalsContact O-CB 3.31Å; M11-N15 WeakPolarHBondContact O-CB 3.27Å; M11-N15 PolarHBondContact O-N 3.36Å
12V58.8Low58.9Low90 Ų90132.5 Ų132.555%0.54564%0.644SS.*Hα-helixtrans-72.5-44.2173.9172.20000110.8R8 R9 V10 N15 S16R8-V12 VanDerWaalsContact O-CG2 3.27Å; R8-V12 WeakPolarHBondContact O-CG2 3.49Å; R9-V12 PolarHBondContact O-N 3.29Å; V10-V12 VanDerWaalsContact C-N 3.27Å; V10-V12 PolarHBondContact O-N 2.94Å; V12-N15 PolarHBondContact O-N 3.31Å; V12-S16 WeakPolarHBondContact O-CB 3.33Å; V12-S16 PolarHBondContact O-N 2.75Å; V12-S16 PolarHBondContact O-OG 3.31Å
13V64.3Low60.6Low92 Ų92133.2 Ų133.256%0.55864%0.639SS**Hα-helixtrans-61-46.2175.6174.30000111.1R9 V10 S16 V17R9-V13 PolarHBondContact O-N 3Å; V10-V13 PolarHBondContact O-N 3.15Å; V10-V13 VanDerWaalsContact O-N 3.17Å; V13-S16 PolarHBondContact O-N 2.92Å; V13-V17 HydrophobicContact CG1-CG2 4.41Å; V13-V17 WeakPolarHBondContact O-CG2 3.47Å; V13-V17 PolarHBondContact O-N 2.86Å
14V66.4Low62Low75 Ų75127.8 Ų127.846%0.45562%0.623SS.*Hα-helixtrans-62-45.4177.7170.80000111.4V10 S16 V17 L18V10-V14 HydrophobicContact CG1-CG2 4.24Å; V10-V14 WeakPolarHBondContact O-CG2 3.38Å; V10-V14 PolarHBondContact O-N 2.83Å; V14-S16 VanDerWaalsContact C-N 3.34Å; V14-S16 PolarHBondContact O-N 3.03Å; V14-V17 PolarHBondContact O-N 2.95Å; V14-L18 HydrophobicContact CG1-CD1 3.98Å; V14-L18 WeakPolarHBondContact O-CB 3.27Å; V14-L18 PolarHBondContact O-N 3.11Å
15N66.1Low63.2Low81 Ų81120.6 Ų120.643%0.43360%0.603SS.*Hα-helixtrans-67.2-32175.7-79.6-14.7000113.2M11 V12 K19M11-N15 VanDerWaalsContact O-CB 3.31Å; M11-N15 WeakPolarHBondContact O-CB 3.27Å; M11-N15 PolarHBondContact O-N 3.36Å; V12-N15 PolarHBondContact O-N 3.31Å; N15-K19 WeakPolarHBondContact O-CB 3.4Å; N15-K19 WeakPolarHBondContact O-CG 3.47Å; N15-K19 PolarHBondContact O-N 3.33Å
16S70.3Confident64.4Low72 Ų72123.3 Ų123.350%0.50359%0.593SS.*Hα-helixtrans-68.7-42.1172.4-75.60000111.8V12 V13 V14 K19 L20V12-S16 WeakPolarHBondContact O-CB 3.33Å; V12-S16 PolarHBondContact O-N 2.75Å; V12-S16 PolarHBondContact O-OG 3.31Å; V13-S16 PolarHBondContact O-N 2.92Å; V14-S16 VanDerWaalsContact C-N 3.34Å; V14-S16 PolarHBondContact O-N 3.03Å; S16-K19 PolarHBondContact O-N 3.38Å; S16-L20 VanDerWaalsContact O-CB 3.23Å; S16-L20 WeakPolarHBondContact O-CB 3.34Å; S16-L20 PolarHBondContact O-N 3.43Å
17V69.8Low65.2Low81 Ų81115.7 Ų115.749%0.49157%0.572SS.*Hα-helixtrans-65.9-43.2175.2170.30000110.9V13 V14 L20 L21V13-V17 HydrophobicContact CG1-CG2 4.41Å; V13-V17 WeakPolarHBondContact O-CG2 3.47Å; V13-V17 PolarHBondContact O-N 2.86Å; V14-V17 PolarHBondContact O-N 2.95Å; V17-L20 PolarHBondContact O-N 3.08Å; V17-L21 HydrophobicContact CG1-CD1 4.03Å; V17-L21 WeakPolarHBondContact O-CB 3.23Å; V17-L21 WeakPolarHBondContact O-CG 3.35Å; V17-L21 PolarHBondContact O-N 3.16Å
18L71Confident65.8Low98 Ų98113.8 Ų113.851%0.51356%0.561SS.*Hα-helixtrans-62-44.1173.9-89.1159.9000112.2V14 L20 L21 Q22V14-L18 HydrophobicContact CG1-CD1 3.98Å; V14-L18 WeakPolarHBondContact O-CB 3.27Å; V14-L18 PolarHBondContact O-N 3.11Å; L18-L20 VanDerWaalsContact C-N 3.32Å; L18-L20 PolarHBondContact O-N 3.32Å; L18-L21 PolarHBondContact O-N 3.42Å; L18-Q22 WeakPolarHBondContact O-CB 2.97Å; L18-Q22 PolarHBondContact O-N 2.88Å
19K73.1Confident66.5Low151 Ų151106.9 Ų106.966%0.65754%0.54SS*.Hα-helixtrans-66.7-31.5174.1-78.3-173.9174.6-171.80113N15 S16 R23N15-K19 WeakPolarHBondContact O-CB 3.4Å; N15-K19 WeakPolarHBondContact O-CG 3.47Å; N15-K19 PolarHBondContact O-N 3.33Å; S16-K19 PolarHBondContact O-N 3.38Å; K19-R23 VanDerWaalsContact O-CB 3.24Å; K19-R23 WeakPolarHBondContact O-CB 3.41Å; K19-R23 PolarHBondContact O-N 3.02Å
20L71.6Confident67.1Low110 Ų110101 Ų10158%0.57653%0.533SS*.Hα-helixtrans-73.2-44.7176.5-164.6155.2000110.7S16 V17 L18 R23 Q24S16-L20 VanDerWaalsContact O-CB 3.23Å; S16-L20 WeakPolarHBondContact O-CB 3.34Å; S16-L20 PolarHBondContact O-N 3.43Å; V17-L20 PolarHBondContact O-N 3.08Å; L18-L20 VanDerWaalsContact C-N 3.32Å; L18-L20 PolarHBondContact O-N 3.32Å; L20-R23 PolarHBondContact O-N 3.25Å; L20-Q24 HydrophobicContact CD2-CG 3.99Å; L20-Q24 WeakPolarHBondContact O-CB 3.49Å; L20-Q24 VanDerWaalsContact O-CG 3.29Å; L20-Q24 WeakPolarHBondContact O-CG 3.5Å; L20-Q24 PolarHBondContact O-N 3.25Å
21L70.6Confident67.8Low99 Ų99101.5 Ų101.552%0.51853%0.529SS..Hα-helixtrans-56.6-51.3169.8-79.2167.1000111.2V17 L18 R23 Q24 T25V17-L21 HydrophobicContact CG1-CD1 4.03Å; V17-L21 WeakPolarHBondContact O-CB 3.23Å; V17-L21 WeakPolarHBondContact O-CG 3.35Å; V17-L21 PolarHBondContact O-N 3.16Å; L18-L21 PolarHBondContact O-N 3.42Å; L21-R23 VanDerWaalsContact C-N 3.32Å; L21-R23 PolarHBondContact O-N 3.25Å; L21-Q24 CarbonylContact O-C 3.56Å; L21-Q24 PolarHBondContact O-N 3Å; L21-Q24 VanDerWaalsContact O-N 3.12Å; L21-T25 WeakPolarHBondContact O-CG2 3.5Å; L21-T25 PolarHBondContact O-N 3.12Å; L21-T25 PolarHBondContact O-OG1 3.07Å
22Q74.7Confident68.6Low101 Ų101105.4 Ų105.447%0.47254%0.536SS..Hα-helixtrans-57.7-43.1177.1-174.9-178.726.900111.9L18 T25 Y26L18-Q22 WeakPolarHBondContact O-CB 2.97Å; L18-Q22 PolarHBondContact O-N 2.88Å; Q22-T25 WeakPolarHBondContact CA-OG1 3.42Å; Q22-T25 PolarHBondContact O-OG1 3.03Å; Q22-T25 VanDerWaalsContact O-OG1 3.09Å; Q22-Y26 HydrophobicContact CG-CD2 3.88Å; Q22-Y26 HydrophobicContact CG-CE2 3.69Å; Q22-Y26 WeakPolarHBondContact O-CD2 3.26Å; Q22-Y26 PolarHBondContact O-N 3.07Å
23R73.2Confident68.9Low194 Ų194107.7 Ų107.773%0.73254%0.536SS*.Hα-helixtrans-66.6-38.7176.5-168.3176.3-174.3-172.91.8111.5K19 L20 L21 T27K19-R23 VanDerWaalsContact O-CB 3.24Å; K19-R23 WeakPolarHBondContact O-CB 3.41Å; K19-R23 PolarHBondContact O-N 3.02Å; L20-R23 PolarHBondContact O-N 3.25Å; L21-R23 VanDerWaalsContact C-N 3.32Å; L21-R23 PolarHBondContact O-N 3.25Å; R23-T27 WeakPolarHBondContact O-CB 3.04Å; R23-T27 PolarHBondContact O-N 2.92Å; R23-T27 PolarHBondContact O-OG1 3Å
24Q68.7Low69.2Low115 Ų115103.3 Ų103.354%0.53751%0.51SS..Hα-helixtrans-72.2-37.5177.9-70-66.41.200112.7L20 L21 T27 C28L20-Q24 HydrophobicContact CD2-CG 3.99Å; L20-Q24 WeakPolarHBondContact O-CB 3.49Å; L20-Q24 VanDerWaalsContact O-CG 3.29Å; L20-Q24 WeakPolarHBondContact O-CG 3.5Å; L20-Q24 PolarHBondContact O-N 3.25Å; L21-Q24 CarbonylContact O-C 3.56Å; L21-Q24 PolarHBondContact O-N 3Å; L21-Q24 VanDerWaalsContact O-N 3.12Å; Q24-T27 PolarHBondContact O-N 3.43Å; Q24-C28 WeakPolarHBondContact O-CB 3.5Å; Q24-C28 PolarHBondContact O-N 2.85Å
25T66.6Low69.4Low74 Ų74105.6 Ų105.645%0.45452%0.519SS..Hα-helixtrans-67.8-41174.154.20000111.5L21 Q22 C28 L29L21-T25 WeakPolarHBondContact O-CG2 3.5Å; L21-T25 PolarHBondContact O-N 3.12Å; L21-T25 PolarHBondContact O-OG1 3.07Å; Q22-T25 WeakPolarHBondContact CA-OG1 3.42Å; Q22-T25 PolarHBondContact O-OG1 3.03Å; Q22-T25 VanDerWaalsContact O-OG1 3.09Å; T25-C28 PolarHBondContact O-N 3.24Å; T25-L29 WeakPolarHBondContact O-CB 3.46Å; T25-L29 VanDerWaalsContact O-CG 3.27Å; T25-L29 WeakPolarHBondContact O-CG 3.48Å; T25-L29 PolarHBondContact O-N 3.13Å
26Y71.9Confident69.6Low156 Ų156110.2 Ų110.261%0.61253%0.531SS*.Hα-helixtrans-63.4-39.9170-79.7-58.4000112.8Q22 L29 S30Q22-Y26 HydrophobicContact CG-CD2 3.88Å; Q22-Y26 HydrophobicContact CG-CE2 3.69Å; Q22-Y26 WeakPolarHBondContact O-CD2 3.26Å; Q22-Y26 PolarHBondContact O-N 3.07Å; Y26-L29 PolarHBondContact O-N 3.05Å; Y26-S30 VanDerWaalsContact O-CB 3.27Å; Y26-S30 WeakPolarHBondContact O-CB 3.36Å; Y26-S30 PolarHBondContact O-N 3.44Å; Y26-S30 PolarHBondContact O-OG 3Å
27T69.5Low69.6Low74 Ų74109.2 Ų109.245%0.45452%0.52SS..Hα-helixtrans-62-46176.2-55.30000110.5R23 Q24 S30 H31R23-T27 WeakPolarHBondContact O-CB 3.04Å; R23-T27 PolarHBondContact O-N 2.92Å; R23-T27 PolarHBondContact O-OG1 3Å; Q24-T27 PolarHBondContact O-N 3.43Å; T27-S30 PolarHBondContact O-N 3.11Å; T27-S30 PolarHBondContact O-OG 2.99Å; T27-H31 PolarHBondContact O-N 3.24Å
28C63.4Low69.7Low48 Ų48108.4 Ų108.432%0.32452%0.517SS..Hα-helixtrans-59-54.6174.4-172.20000111.8Q24 T25 S30 H31 G34Q24-C28 WeakPolarHBondContact O-CB 3.5Å; Q24-C28 PolarHBondContact O-N 2.85Å; T25-C28 PolarHBondContact O-N 3.24Å; C28-S30 VanDerWaalsContact C-N 3.28Å; C28-S30 PolarHBondContact O-N 2.02Å; C28-H31 VanDerWaalsContact O-CB 3.3Å; C28-H31 WeakPolarHBondContact O-CB 3.46Å; C28-H31 PolarHBondContact O-N 2.93Å; C28-G34 VanDerWaalsContact O-CA 3.28Å; C28-G34 WeakPolarHBondContact O-CA 3.42Å
29L64.2Low69.9Low80 Ų80110.5 Ų110.542%0.41952%0.523SS..Hα-helixtrans-63.8-28.3-178-71.8167.7000113.8T25 Y26 H31 L35T25-L29 WeakPolarHBondContact O-CB 3.46Å; T25-L29 VanDerWaalsContact O-CG 3.27Å; T25-L29 WeakPolarHBondContact O-CG 3.48Å; T25-L29 PolarHBondContact O-N 3.13Å; Y26-L29 PolarHBondContact O-N 3.05Å; L29-H31 VanDerWaalsContact C-N 3.33Å; L29-L35 HydrophobicContact CD2-CD2 3.94Å
30S66.3Low70.1Confident99 Ų99104.4 Ų104.469%0.69250%0.503SS*.Hα-helixtrans-76.7-16.3173.872.30000114.2Y26 T27 C28Y26-S30 VanDerWaalsContact O-CB 3.27Å; Y26-S30 WeakPolarHBondContact O-CB 3.36Å; Y26-S30 PolarHBondContact O-N 3.44Å; Y26-S30 PolarHBondContact O-OG 3Å; T27-S30 PolarHBondContact O-N 3.11Å; T27-S30 PolarHBondContact O-OG 2.99Å; C28-S30 VanDerWaalsContact C-N 3.28Å; C28-S30 PolarHBondContact O-N 2.02Å
31H70.4Confident70.4Confident112 Ų112100.7 Ų100.752%0.51949%0.491SS..SBendtrans-74141.4178.4-171.5-120.4000110.3T27 C28 L29 Y33 G34T27-H31 PolarHBondContact O-N 3.24Å; C28-H31 VanDerWaalsContact O-CB 3.3Å; C28-H31 WeakPolarHBondContact O-CB 3.46Å; C28-H31 PolarHBondContact O-N 2.93Å; L29-H31 VanDerWaalsContact C-N 3.33Å; H31-Y33 AromaticContact CE1-CD2 3.96Å; H31-Y33 PolarHBondContact O-N 2.81Å; H31-G34 PolarHBondContact O-N 2.71Å
32R70.3Confident70.7Confident212 Ų212101 Ų10180%0.849%0.492SS*.THydrogen-bonded Turntrans-55.4-21.8-174.6-167.5176.1-175179.62.5114.4
33Y65.8Low70.7Confident137 Ų13798.9 Ų98.954%0.53749%0.487SS..THydrogen-bonded Turntrans-111.71.5177.8-59.1-78.1000114.3H31 L35 Y36 L37H31-Y33 AromaticContact CE1-CD2 3.96Å; H31-Y33 PolarHBondContact O-N 2.81Å; Y33-L35 PolarHBondContact O-N 3.28Å; Y33-Y36 HydrophobicContact CD1-CD2 4.42Å; Y33-Y36 PolarHBondContact O-N 3.4Å; Y33-L37 PolarHBondContact O-N 3.09Å
34G70.6Confident70.9Confident1 Ų191 Ų911%0.0146%0.459CS..Hα-helixtrans-61.3-44.3-174.100000114.1C28 H31 Y36 L37 C38C28-G34 VanDerWaalsContact O-CA 3.28Å; C28-G34 WeakPolarHBondContact O-CA 3.42Å; H31-G34 PolarHBondContact O-N 2.71Å; G34-Y36 VanDerWaalsContact C-N 3.33Å; G34-Y36 PolarHBondContact O-N 3.08Å; G34-L37 WeakPolarHBondContact O-CB 3.42Å; G34-L37 PolarHBondContact O-N 2.82Å; G34-L37 VanDerWaalsContact O-N 3.1Å; G34-C38 PolarHBondContact O-N 3.32Å; G34-C38 PolarHBondContact O-SG 3.16Å
35L68.6Low71.3Confident123 Ų12392.2 Ų92.264%0.64447%0.466SS*.Hα-helixtrans-61.4-39.3176.2-74.9166.2000112.3L29 Y33 L37 C38 F39L29-L35 HydrophobicContact CD2-CD2 3.94Å; Y33-L35 PolarHBondContact O-N 3.28Å; L35-L37 VanDerWaalsContact C-N 3.34Å; L35-C38 PolarHBondContact O-N 2.93Å; L35-F39 WeakPolarHBondContact O-CB 3.47Å; L35-F39 PolarHBondContact O-N 3.23Å
36Y70.4Confident71.7Confident177 Ų17792.8 Ų92.869%0.69447%0.465SS*.Hα-helixtrans-67-34.9173.7-64-75.3000112.2Y33 G34 G40Y33-Y36 HydrophobicContact CD1-CD2 4.42Å; Y33-Y36 PolarHBondContact O-N 3.4Å; G34-Y36 VanDerWaalsContact C-N 3.33Å; G34-Y36 PolarHBondContact O-N 3.08Å; Y36-G40 PolarHBondContact O-N 3.18Å
37L71Confident71.9Confident51 Ų5188.2 Ų88.227%0.26745%0.454SS..Hα-helixtrans-68.2-43.3175.9-129.1172.8000111.5Y33 G34 L35 G41 T1200Y33-L37 PolarHBondContact O-N 3.09Å; G34-L37 WeakPolarHBondContact O-CB 3.42Å; G34-L37 PolarHBondContact O-N 2.82Å; G34-L37 VanDerWaalsContact O-N 3.1Å; L35-L37 VanDerWaalsContact C-N 3.34Å; L37-G41 PolarHBondContact O-N 3.36Å; L37-T1200 HydrophobicContact CD2-CG2 4.1Å
38C72Confident72.4Confident64 Ų6487.4 Ų87.443%0.43245%0.451SS..Hα-helixtrans-64.1-42173.2-69.40000112.2G34 L35 G41 L42G34-C38 PolarHBondContact O-N 3.32Å; G34-C38 PolarHBondContact O-SG 3.16Å; L35-C38 PolarHBondContact O-N 2.93Å; C38-G41 PolarHBondContact O-N 2.89Å; C38-L42 PolarHBondContact O-N 3.49Å
39F76Confident72.9Confident142 Ų14288.1 Ų88.162%0.62346%0.46SS*.Hα-helixtrans-65.5-46.5176.6-173.5-96.6000111.8L35 G41 L42 V43L35-F39 WeakPolarHBondContact O-CB 3.47Å; L35-F39 PolarHBondContact O-N 3.23Å; F39-G41 VanDerWaalsContact C-N 3.31Å; F39-G41 PolarHBondContact O-N 2.8Å; F39-L42 WeakPolarHBondContact O-CB 3.47Å; F39-L42 PolarHBondContact O-N 3.43Å; F39-V43 HydrophobicContact CD1-CG2 4.21Å; F39-V43 HydrophobicContact CE1-CG2 3.89Å; F39-V43 HydrophobicContact CZ-CG2 4.22Å; F39-V43 WeakPolarHBondContact O-CG2 3.28Å; F39-V43 PolarHBondContact O-N 2.99Å
40G75.5Confident73.4Confident24 Ų2491.6 Ų91.625%0.24747%0.472CS..Hα-helixtrans-60.5-39.2174.700000112.7Y36 V43 L44Y36-G40 PolarHBondContact O-N 3.18Å; G40-V43 PolarHBondContact O-N 3.32Å; G40-L44 WeakPolarHBondContact O-CB 3.33Å; G40-L44 PolarHBondContact O-N 2.84Å
41G78.1Confident73.7Confident31 Ų3189.6 Ų89.632%0.3245%0.452SS..Hα-helixtrans-65.3-37.8173.400000113.6L37 C38 F39 L44 M45L37-G41 PolarHBondContact O-N 3.36Å; C38-G41 PolarHBondContact O-N 2.89Å; F39-G41 VanDerWaalsContact C-N 3.31Å; F39-G41 PolarHBondContact O-N 2.8Å; G41-L44 PolarHBondContact O-N 3.41Å; G41-M45 WeakPolarHBondContact O-CB 3.44Å; G41-M45 PolarHBondContact O-N 2.97Å
42L76.9Confident74Confident105 Ų10591 Ų9155%0.5546%0.457SS..Hα-helixtrans-65.4-44.3173.9-167.288.1000111.2C38 F39 M45 I46C38-L42 PolarHBondContact O-N 3.49Å; F39-L42 WeakPolarHBondContact O-CB 3.47Å; F39-L42 PolarHBondContact O-N 3.43Å; L42-M45 WeakPolarHBondContact O-CB 3.47Å; L42-M45 PolarHBondContact O-N 3.13Å; L42-I46 HydrophobicContact CD2-CD1 4.33Å; L42-I46 HydrophobicContact CG-CD1 4.19Å; L42-I46 WeakPolarHBondContact O-CG1 3.35Å; L42-I46 PolarHBondContact O-N 3.07Å
43V75.3Confident74.1Confident58 Ų5882.5 Ų82.535%0.35244%0.435SS..Hα-helixtrans-62.9-43.4176.3172.30000110.8F39 G40 I46 V47F39-V43 HydrophobicContact CD1-CG2 4.21Å; F39-V43 HydrophobicContact CE1-CG2 3.89Å; F39-V43 HydrophobicContact CZ-CG2 4.22Å; F39-V43 WeakPolarHBondContact O-CG2 3.28Å; F39-V43 PolarHBondContact O-N 2.99Å; G40-V43 PolarHBondContact O-N 3.32Å; V43-I46 PolarHBondContact O-N 3.45Å; V43-V47 HydrophobicContact CG1-CG2 4.4Å; V43-V47 WeakPolarHBondContact O-CG2 3.41Å; V43-V47 PolarHBondContact O-N 2.94Å
44L77.8Confident74.5Confident29 Ų2981.1 Ų81.115%0.15243%0.433CS..Hα-helixtrans-59.1-46.9173.5-104.3164000112G40 G41 I46 V47 S48 L1193 L1196G40-L44 WeakPolarHBondContact O-CB 3.33Å; G40-L44 PolarHBondContact O-N 2.84Å; G41-L44 PolarHBondContact O-N 3.41Å; L44-I46 VanDerWaalsContact C-N 3.31Å; L44-I46 PolarHBondContact O-N 3.37Å; L44-V47 PolarHBondContact O-N 3.21Å; L44-S48 WeakPolarHBondContact O-CB 3.49Å; L44-S48 PolarHBondContact O-N 2.91Å; L44-S48 PolarHBondContact O-OG 3.04Å; L44-L1193 HydrophobicContact CD2-CD1 3.56Å; L44-L1193 HydrophobicContact CD2-CG 4.3Å; L44-L1196 HydrophobicContact CD1-CB 4.17Å
45M77.5Confident74.5Confident140 Ų14085 Ų8569%0.6946%0.457SS*.Hα-helixtrans-54.2-45.2174-97.9-75.7-64.400112.4G41 L42 A49G41-M45 WeakPolarHBondContact O-CB 3.44Å; G41-M45 PolarHBondContact O-N 2.97Å; L42-M45 WeakPolarHBondContact O-CB 3.47Å; L42-M45 PolarHBondContact O-N 3.13Å; M45-A49 WeakPolarHBondContact O-CB 3.5Å; M45-A49 PolarHBondContact O-N 2.85Å
46I75.3Confident74.6Confident85 Ų8582.2 Ų82.244%0.43645%0.445SS..Hα-helixtrans-67.8-46179.8-67.9163.8000110.8L42 V43 L44 A49 F50L42-I46 HydrophobicContact CD2-CD1 4.33Å; L42-I46 HydrophobicContact CG-CD1 4.19Å; L42-I46 WeakPolarHBondContact O-CG1 3.35Å; L42-I46 PolarHBondContact O-N 3.07Å; V43-I46 PolarHBondContact O-N 3.45Å; L44-I46 VanDerWaalsContact C-N 3.31Å; L44-I46 PolarHBondContact O-N 3.37Å; I46-A49 PolarHBondContact O-N 3.09Å; I46-F50 HydrophobicContact CG2-CD2 3.9Å; I46-F50 HydrophobicContact CG2-CE2 3.76Å; I46-F50 VanDerWaalsContact O-CD2 3.29Å; I46-F50 WeakPolarHBondContact O-CD2 3.29Å; I46-F50 PolarHBondContact O-N 3.41Å
47V75.5Confident74.3Confident61 Ų6180.2 Ų80.237%0.3744%0.444SS..Hα-helixtrans-62.6-44.6177.8171.50000111.3V43 L44 A49 F50 Q51 L1193V43-V47 HydrophobicContact CG1-CG2 4.4Å; V43-V47 WeakPolarHBondContact O-CG2 3.41Å; V43-V47 PolarHBondContact O-N 2.94Å; L44-V47 PolarHBondContact O-N 3.21Å; V47-A49 VanDerWaalsContact C-N 3.31Å; V47-A49 PolarHBondContact O-N 3.17Å; V47-F50 PolarHBondContact O-N 3.13Å; V47-Q51 PolarHBondContact O-N 3.35Å; V47-L1193 HydrophobicContact CG1-CD1 4.01Å
48S79Confident73.8Confident57 Ų5782.9 Ų82.940%0.39946%0.455SS..Hα-helixtrans-65.7-32175.7-64.10000112.8L44 F52L44-S48 WeakPolarHBondContact O-CB 3.49Å; L44-S48 PolarHBondContact O-N 2.91Å; L44-S48 PolarHBondContact O-OG 3.04Å; S48-F52 VanDerWaalsContact O-CB 3.26Å; S48-F52 WeakPolarHBondContact O-CB 3.11Å; S48-F52 PolarHBondContact O-N 3.29Å
49A74.8Confident73.2Confident62 Ų6287.9 Ų87.951%0.51247%0.465SS..Hα-helixtrans-67.4-38.7172.800000112.2M45 I46 V47 G53M45-A49 WeakPolarHBondContact O-CB 3.5Å; M45-A49 PolarHBondContact O-N 2.85Å; I46-A49 PolarHBondContact O-N 3.09Å; V47-A49 VanDerWaalsContact C-N 3.31Å; V47-A49 PolarHBondContact O-N 3.17Å; A49-G53 PolarHBondContact O-N 2.86Å
50F74.5Confident72.5Confident154 Ų15482.9 Ų82.968%0.67545%0.447SS*.Hα-helixtrans-66.7-45.3172.8-82.2-69.7000112.4I46 V47 F52 G53 E54I46-F50 HydrophobicContact CG2-CD2 3.9Å; I46-F50 HydrophobicContact CG2-CE2 3.76Å; I46-F50 VanDerWaalsContact O-CD2 3.29Å; I46-F50 WeakPolarHBondContact O-CD2 3.29Å; I46-F50 PolarHBondContact O-N 3.41Å; V47-F50 PolarHBondContact O-N 3.13Å; F50-F52 VanDerWaalsContact C-N 3.33Å; F50-F52 PolarHBondContact O-N 2.55Å; F50-G53 WeakPolarHBondContact O-CA 3.36Å; F50-G53 PolarHBondContact O-N 3.21Å; F50-G53 VanDerWaalsContact O-N 3.08Å; F50-E54 PolarHBondContact O-N 3.14Å
51Q72.3Confident71.3Confident57 Ų5787.4 Ų87.427%0.26646%0.457SS..Hα-helixtrans-62.7-38.4175.3-70.1-170.1-77.200112.3V47 G53 E54 V55V47-Q51 PolarHBondContact O-N 3.35Å; Q51-G53 VanDerWaalsContact C-N 3.3Å; Q51-G53 PolarHBondContact O-N 3.38Å; Q51-E54 PolarHBondContact O-N 2.88Å; Q51-V55 WeakPolarHBondContact O-CG2 3.18Å; Q51-V55 PolarHBondContact O-N 2.93Å
52F76.9Confident69.7Low141 Ų14190.5 Ų90.562%0.61847%0.466SS*.Hα-helixtrans-64.9-35.7173-174.9-102.9000111.6S48 F50 V55 V56S48-F52 VanDerWaalsContact O-CB 3.26Å; S48-F52 WeakPolarHBondContact O-CB 3.11Å; S48-F52 PolarHBondContact O-N 3.29Å; F50-F52 VanDerWaalsContact C-N 3.33Å; F50-F52 PolarHBondContact O-N 2.55Å; F52-V55 PolarHBondContact O-N 3.38Å; F52-V56 HydrophobicContact CD1-CG2 4.03Å; F52-V56 HydrophobicContact CD2-CG2 4.48Å; F52-V56 HydrophobicContact CE1-CG2 3.64Å; F52-V56 HydrophobicContact CE2-CG2 4.13Å; F52-V56 HydrophobicContact CG-CG2 4.44Å; F52-V56 HydrophobicContact CZ-CG2 3.69Å; F52-V56 WeakPolarHBondContact O-CB 3.33Å; F52-V56 VanDerWaalsContact O-CG2 3.27Å; F52-V56 WeakPolarHBondContact O-CG2 3.43Å; F52-V56 PolarHBondContact O-N 2.68Å
53G73.4Confident68.1Low33 Ų3390.5 Ų90.534%0.3446%0.463SS..Hα-helixtrans-61.2-45170.900000113.2A49 F50 Q51 V56 M57A49-G53 PolarHBondContact O-N 2.86Å; F50-G53 WeakPolarHBondContact O-CA 3.36Å; F50-G53 PolarHBondContact O-N 3.21Å; F50-G53 VanDerWaalsContact O-N 3.08Å; Q51-G53 VanDerWaalsContact C-N 3.3Å; Q51-G53 PolarHBondContact O-N 3.38Å; G53-V56 PolarHBondContact O-N 3.34Å; G53-M57 WeakPolarHBondContact O-CB 3.43Å; G53-M57 VanDerWaalsContact O-CG 3.3Å; G53-M57 WeakPolarHBondContact O-CG 3.33Å; G53-M57 PolarHBondContact O-N 2.93Å
54E72.2Confident66.7Low108 Ų10894.9 Ų94.951%0.50547%0.474SS..Hα-helixtrans-59.7-49.2173.3-69-172.2134.500111.2F50 Q51 V56 M57 E58F50-E54 PolarHBondContact O-N 3.14Å; Q51-E54 PolarHBondContact O-N 2.88Å; E54-V56 PolarHBondContact O-N 3.31Å; E54-M57 WeakPolarHBondContact O-CB 3.46Å; E54-M57 PolarHBondContact O-N 3.38Å; E54-M57 VanDerWaalsContact O-N 3.17Å; E54-E58 WeakPolarHBondContact O-CG 3.37Å; E54-E58 PolarHBondContact O-N 3.29Å
55V72.4Confident64.9Low84 Ų8497.5 Ų97.551%0.50949%0.486SS..Hα-helixtrans-65.7-35.1-178.9172.10000112.6Q51 F52 W59Q51-V55 WeakPolarHBondContact O-CG2 3.18Å; Q51-V55 PolarHBondContact O-N 2.93Å; F52-V55 PolarHBondContact O-N 3.38Å; V55-W59 VanDerWaalsContact O-CB 3.28Å; V55-W59 WeakPolarHBondContact O-CB 3.49Å; V55-W59 PolarHBondContact O-N 3.03Å
56V69.7Low63.4Low64 Ų6495 Ų9539%0.38848%0.478SS..Hα-helixtrans-70.2-36.5174.2168.30000111.4F52 G53 E54 S60F52-V56 HydrophobicContact CD1-CG2 4.03Å; F52-V56 HydrophobicContact CD2-CG2 4.48Å; F52-V56 HydrophobicContact CE1-CG2 3.64Å; F52-V56 HydrophobicContact CE2-CG2 4.13Å; F52-V56 HydrophobicContact CG-CG2 4.44Å; F52-V56 HydrophobicContact CZ-CG2 3.69Å; F52-V56 WeakPolarHBondContact O-CB 3.33Å; F52-V56 VanDerWaalsContact O-CG2 3.27Å; F52-V56 WeakPolarHBondContact O-CG2 3.43Å; F52-V56 PolarHBondContact O-N 2.68Å; G53-V56 PolarHBondContact O-N 3.34Å; E54-V56 PolarHBondContact O-N 3.31Å; V56-S60 WeakPolarHBondContact O-CB 3.43Å; V56-S60 PolarHBondContact O-N 3.03Å; V56-S60 PolarHBondContact O-OG 2.76Å
57M63.3Low61.9Low135 Ų13596.8 Ų96.867%0.66549%0.488SS*.Hα-helixtrans-63.6-49.7172.1-75.4-72-67.900111.2G53 E54 W59 S60 R61G53-M57 WeakPolarHBondContact O-CB 3.43Å; G53-M57 VanDerWaalsContact O-CG 3.3Å; G53-M57 WeakPolarHBondContact O-CG 3.33Å; G53-M57 PolarHBondContact O-N 2.93Å; E54-M57 WeakPolarHBondContact O-CB 3.46Å; E54-M57 PolarHBondContact O-N 3.38Å; E54-M57 VanDerWaalsContact O-N 3.17Å; M57-W59 PolarHBondContact O-N 2.82Å; M57-S60 PolarHBondContact O-N 3.09Å; M57-S60 PolarHBondContact O-OG 3.47Å; M57-R61 PolarHBondContact O-N 3.36Å
58E61.4Low60.2Low107 Ų107101.7 Ų101.750%0.551%0.505SS..Hα-helixtrans-56.6-50.2175-71.3177.416100111.4E54 S60 R61 D62E54-E58 WeakPolarHBondContact O-CG 3.37Å; E54-E58 PolarHBondContact O-N 3.29Å; E58-S60 VanDerWaalsContact C-N 3.33Å; E58-S60 PolarHBondContact O-N 3.01Å; E58-R61 WeakPolarHBondContact O-CB 3.46Å; E58-R61 PolarHBondContact O-N 2.98Å; E58-D62 PolarHBondContact O-N 2.87Å
59W58.4Low58.2Low169 Ų169102 Ų10264%0.6450%0.502SS*.Hα-helixtrans-59.3-39.3177.4178.479.1000113.4V55 M57 D62 Q63V55-W59 VanDerWaalsContact O-CB 3.28Å; V55-W59 WeakPolarHBondContact O-CB 3.49Å; V55-W59 PolarHBondContact O-N 3.03Å; M57-W59 PolarHBondContact O-N 2.82Å; W59-D62 PolarHBondContact O-N 3.05Å; W59-Q63 HydrophobicContact CH2-CG 4.27Å; W59-Q63 HydrophobicContact CZ2-CG 4.09Å; W59-Q63 PolarHBondContact O-N 3.05Å
60S61.9Low56.6Low37 Ų37103.7 Ų103.726%0.25951%0.51SS..Hα-helixtrans-66.6-36.7175.171.70000112.5V56 M57 E58 Q63 Y64V56-S60 WeakPolarHBondContact O-CB 3.43Å; V56-S60 PolarHBondContact O-N 3.03Å; V56-S60 PolarHBondContact O-OG 2.76Å; M57-S60 PolarHBondContact O-N 3.09Å; M57-S60 PolarHBondContact O-OG 3.47Å; E58-S60 VanDerWaalsContact C-N 3.33Å; E58-S60 PolarHBondContact O-N 3.01Å; S60-Q63 WeakPolarHBondContact O-CB 3.27Å; S60-Q63 PolarHBondContact O-N 3.36Å; S60-Y64 WeakPolarHBondContact O-CD2 3.31Å; S60-Y64 PolarHBondContact O-N 2.99Å
61R50.9Low55.2Low118 Ų118102.8 Ų102.845%0.44550%0.503SS..Hα-helixtrans-65.2-41.3176.5-165.3174.481.1162.59.8111.3M57 E58 Q63 Y64 H65 D378M57-R61 PolarHBondContact O-N 3.36Å; E58-R61 WeakPolarHBondContact O-CB 3.46Å; E58-R61 PolarHBondContact O-N 2.98Å; R61-Q63 VanDerWaalsContact C-N 3.34Å; R61-Y64 PolarHBondContact O-N 3.13Å; R61-H65 PolarHBondContact O-N 3Å; R61-D378 IonicContact CZ-OD2 3.35Å; R61-D378 IonicContact NH1-OD2 3.64Å; R61-D378 PolarHBondContact NH1-OD2 3.42Å; R61-D378 IonicContact NH2-OD2 3.21Å
62D44.8Very low53.5Low96 Ų96107.2 Ų107.251%0.51352%0.517SS..Hα-helixtrans-66.6-35.5175.9-69.6-6.6000112E58 W59 H65 V66E58-D62 PolarHBondContact O-N 2.87Å; W59-D62 PolarHBondContact O-N 3.05Å; D62-H65 PolarHBondContact O-N 3.39Å; D62-V66 PolarHBondContact O-N 3.47Å
63Q43.4Very low51.6Low106 Ų106104.8 Ų104.850%0.49551%0.511SS..Hα-helixtrans-60.7-43.3169.9-97.1-79.4-8800112.4W59 S60 R61 V66W59-Q63 HydrophobicContact CH2-CG 4.27Å; W59-Q63 HydrophobicContact CZ2-CG 4.09Å; W59-Q63 PolarHBondContact O-N 3.05Å; S60-Q63 WeakPolarHBondContact O-CB 3.27Å; S60-Q63 PolarHBondContact O-N 3.36Å; R61-Q63 VanDerWaalsContact C-N 3.34Å; Q63-V66 PolarHBondContact O-N 3.47Å
64Y45.7Very low50.1Low149 Ų149108.8 Ų108.858%0.58452%0.524SS*.Hα-helixtrans-69.2-33.3176.2-76.9-66000113.1S60 R61 V66 L67 F68S60-Y64 WeakPolarHBondContact O-CD2 3.31Å; S60-Y64 PolarHBondContact O-N 2.99Å; R61-Y64 PolarHBondContact O-N 3.13Å; Y64-V66 PolarHBondContact O-N 3.22Å; Y64-L67 HydrophobicContact CD1-CD1 4.3Å; Y64-L67 PolarHBondContact O-N 3.25Å; Y64-F68 HydrophobicContact CD1-CE2 4.28Å; Y64-F68 WeakPolarHBondContact O-CD2 3.34Å
65H40.2Very low48.3Very low85 Ų85111 Ų11139%0.39455%0.545SS..Hα-helixtrans-56.8-34.7174.2-101-71.5000113R61 D62 L67 D69R61-H65 PolarHBondContact O-N 3Å; D62-H65 PolarHBondContact O-N 3.39Å; H65-L67 VanDerWaalsContact C-N 3.33Å; H65-D69 PolarHBondContact O-N 3.42Å
66V44.7Very low46.8Very low87 Ų87110 Ų11053%0.52755%0.552SS.*Hα-helixtrans-75.1-20.8178.3179.70000112.7D62 Q63 Y64D62-V66 PolarHBondContact O-N 3.47Å; Q63-V66 PolarHBondContact O-N 3.47Å; Y64-V66 PolarHBondContact O-N 3.22Å
67L43.5Very low45.3Very low123 Ų123109.8 Ų109.864%0.64456%0.562SS**Hα-helixtrans-84.7-14.2-180-88.8162.6000114.5Y64 H65Y64-L67 HydrophobicContact CD1-CD1 4.3Å; Y64-L67 PolarHBondContact O-N 3.25Å; H65-L67 VanDerWaalsContact C-N 3.33Å
68F39.7Very low44.2Very low164 Ų164110.3 Ų110.372%0.71956%0.561SS**Hα-helixtrans-120.5-2.3-177-64-68.9000114.4Y64 S70Y64-F68 HydrophobicContact CD1-CE2 4.28Å; Y64-F68 WeakPolarHBondContact O-CD2 3.34Å; F68-S70 PolarHBondContact O-N 3.12Å
69D37.7Very low43.3Very low63 Ų63107.6 Ų107.634%0.33755%0.554SS.*  trans-79.790.9172-177.48.8000110.4H65 Y71 R72H65-D69 PolarHBondContact O-N 3.42Å; D69-Y71 PolarHBondContact O-N 2.87Å; D69-Y71 PolarHBondContact OD1-N 3.17Å; D69-R72 PolarHBondContact O-N 3Å; D69-R72 WeakPolarHBondContact OD2-CD 3.37Å; D69-R72 IonicContact OD2-NE 3.66Å
70S41.4Very low42.6Very low98 Ų98104.8 Ų104.869%0.68555%0.546SS*.THydrogen-bonded Turntrans-61.1-11.2-174.558.30000115F68 R72F68-S70 PolarHBondContact O-N 3.12Å; S70-R72 VanDerWaalsContact C-N 3.35Å
71Y45.1Very low41.6Very low135 Ų135109.6 Ų109.653%0.52957%0.565SS.*THydrogen-bonded Turntrans-89.24.8175.5-70.4-75.4000113.9D69 P358D69-Y71 PolarHBondContact O-N 2.87Å; D69-Y71 PolarHBondContact OD1-N 3.17Å; Y71-P358 WeakPolarHBondContact OH-CB 2.98Å; Y71-P358 PolarHBondContact OH-O 3.45Å
72R37.2Very low41Very low149 Ų149109 Ų10956%0.56258%0.578SS**SBendtrans-113.3100.2176.1-75.7-174.6163.5159.2-2.1114.1D69 S70D69-R72 PolarHBondContact O-N 3Å; D69-R72 WeakPolarHBondContact OD2-CD 3.37Å; D69-R72 IonicContact OD2-NE 3.66Å; S70-R72 VanDerWaalsContact C-N 3.35Å
73D36.9Very low40.6Very low91 Ų91112.8 Ų112.849%0.48759%0.585SS.*  trans68.796.8160.3-161.232.1000117.1G77 K78D73-G77 WeakPolarHBondContact OD1-CA 3.5Å; D73-G77 PolarHBondContact OD1-N 3.18Å; D73-G77 VanDerWaalsContact OD2-CA 3.26Å; D73-G77 WeakPolarHBondContact OD2-CA 3.43Å; D73-G77 PolarHBondContact OD2-N 3.13Å; D73-K78 PolarHBondContact OD1-N 3.34Å
74N42.4Very low40.4Very low117 Ų117113 Ų11363%0.62659%0.589SS**SBendtrans-123.1121.6157.150.512000110.8
75V33.8Very low40.4Very low154 Ų154112.3 Ų112.393%0.93361%0.605SS**SBendtrans63.573.1-179.4-1620000115.1
76G40.4Very low40.4Very low63 Ų63113.3 Ų113.365%0.64961%0.613SS**SBendtrans144.33.1150.600000118.6
77G38.7Very low40.8Very low59 Ų59112.5 Ų112.561%0.60861%0.609SS**SBendtrans73.428.3179.300000113.1D73D73-G77 WeakPolarHBondContact OD1-CA 3.5Å; D73-G77 PolarHBondContact OD1-N 3.18Å; D73-G77 VanDerWaalsContact OD2-CA 3.26Å; D73-G77 WeakPolarHBondContact OD2-CA 3.43Å; D73-G77 PolarHBondContact OD2-N 3.13Å
78K39.6Very low41.7Very low146 Ų146111 Ų11164%0.63560%0.6SS**  trans-142.2116.1-174-68.2-172.4-178.8-179.60111.5D73 F80D73-K78 PolarHBondContact OD1-N 3.34Å; K78-F80 PolarHBondContact O-N 3.17Å
79S42.1Very low43.4Very low51 Ų51106.7 Ų106.736%0.35759%0.588SS.*  trans-59.5132.8176.8178.60000112.4Q81S79-Q81 PolarHBondContact O-N 2.98Å; S79-Q81 WeakPolarHBondContact OG-CB 3.49Å; S79-Q81 PolarHBondContact OG-N 3.06Å; S79-Q81 VanDerWaalsContact OG-N 3.13Å
80F43.5Very low45.7Very low110 Ų110104.2 Ų104.248%0.48258%0.575SS.*G310 helixtrans-76.3-10.2171.3-86.1-88.2000113.5K78 S82 R83 L84K78-F80 PolarHBondContact O-N 3.17Å; F80-S82 PolarHBondContact O-N 3.38Å; F80-R83 HydrophobicContact CD1-CB 4.28Å; F80-R83 PolarHBondContact O-N 3.08Å; F80-L84 PolarHBondContact O-N 2.81Å
81Q41.5Very low48.2Very low138 Ų13899.6 Ų99.665%0.64554%0.543SS*.G310 helixtrans-63.5-13.4-178.5-159.717122.900113.7S79S79-Q81 PolarHBondContact O-N 2.98Å; S79-Q81 WeakPolarHBondContact OG-CB 3.49Å; S79-Q81 PolarHBondContact OG-N 3.06Å; S79-Q81 VanDerWaalsContact OG-N 3.13Å
82S38.7Very low50.6Low105 Ų10593.1 Ų93.173%0.73452%0.517SS*.G310 helixtrans-110.410.6172.559.80000114.1F80F80-S82 PolarHBondContact O-N 3.38Å
83R37.2Very low53.4Low175 Ų17586 Ų8666%0.6649%0.491SS*.THydrogen-bonded Turntrans-125-13.1-175.3-77-175.2155.2-156.7-11.2115.1F80F80-R83 HydrophobicContact CD1-CB 4.28Å; F80-R83 PolarHBondContact O-N 3.08Å
84L38.3Very low56.2Low110 Ų11081.7 Ų81.758%0.57647%0.468SS*.SBendtrans-79.5137.1163.3-65.2171.7000108.8F80 L86F80-L84 PolarHBondContact O-N 2.81Å; L84-L86 HydrophobicContact CB-CD2 3.77Å; L84-L86 HydrophobicContact CB-CG 4.07Å; L84-L86 HydrophobicContact CD1-CD2 3.96Å; L84-L86 PolarHBondContact O-N 3.46Å
85C45.3Very low58.5Low136 Ų13676.6 Ų76.692%0.91944%0.44SS*.  trans-6982.3155.9-63.50000106.5
86L41Very low61.1Low106 Ų10669.6 Ų69.656%0.55540%0.397SS*.PPolyproline II helixtrans-59.8126.7-166.9-75.3170.3000110.5L84L84-L86 HydrophobicContact CB-CD2 3.77Å; L84-L86 HydrophobicContact CB-CG 4.07Å; L84-L86 HydrophobicContact CD1-CD2 3.96Å; L84-L86 PolarHBondContact O-N 3.46Å
87P53.1Low63.1Low70 Ų7067.5 Ų67.546%0.45537%0.372SS..PPolyproline II helixtrans-59.9159.9159.329.5-33.8000108.8
88M61.4Low65.2Low91 Ų9166.4 Ų66.445%0.44835%0.352SS..PPolyproline II helixtrans-51.5143.6176.5-69.2171.8-71.800110.7I90 K418M88-I90 PolarHBondContact O-N 3.45Å; M88-K418 HydrophobicContact CE-CD 3.91Å; M88-K418 HydrophobicContact CE-CG 4.39Å
89P75.9Confident66.7Low73 Ų7359.6 Ų59.647%0.47432%0.323SS..PPolyproline II helixtrans-58.1130.9171.825.3-33.3000109.3S416P89-S416 WeakPolarHBondContact O-CB 3.33Å
90I85.8Confident68Low12 Ų1260.2 Ų60.26%0.06233%0.325CS..EExtended strand (participates in β ladder)trans-117.8126.2177.5-64.3157.2000107.9M88 W359 R361 I420 P434 M937M88-I90 PolarHBondContact O-N 3.45Å; I90-W359 HydrophobicContact CB-CE3 4.49Å; I90-W359 HydrophobicContact CB-CZ3 3.96Å; I90-W359 HydrophobicContact CD1-CZ3 3.99Å; I90-W359 HydrophobicContact CG2-CZ3 3.85Å; I90-R361 PolarHBondContact O-N 2.9Å; I90-I420 HydrophobicContact CG2-CD1 4.07Å; I90-I420 HydrophobicContact CG2-CG1 3.85Å; I90-P434 HydrophobicContact CD1-CB 3.83Å; I90-P434 HydrophobicContact CD1-CG 4Å; I90-M937 HydrophobicContact CD1-CE 3.76Å; I90-M937 HydrophobicContact CG1-CE 4.33Å; I90-M937 HydrophobicContact CG2-CE 4.35Å
91D94Very high69.8Low0 Ų055.9 Ų55.90%031%0.307CS..EExtended strand (participates in β ladder)trans-97164.5170.2-57.1-34.9000111.2R361 H362 F364 L415 S416 F419 I420D91-R361 VanDerWaalsContact CG-NH2 3.3Å; D91-R361 WeakPolarHBondContact OD1-CB 3.44Å; D91-R361 IonicContact OD1-CZ 3.51Å; D91-R361 IonicContact OD1-NE 2.63Å; D91-R361 PolarHBondContact OD1-NE 3.15Å; D91-R361 IonicContact OD1-NH2 2.73Å; D91-R361 PolarHBondContact OD1-NH2 2.75Å; D91-R361 VanDerWaalsContact OD1-NH2 3.13Å; D91-R361 IonicContact OD2-CZ 3.52Å; D91-R361 IonicContact OD2-NE 3.26Å; D91-R361 IonicContact OD2-NH2 3.49Å; D91-R361 PolarHBondContact OD2-NH2 3.45Å; D91-H362 CarbonylContact C-O 3.52Å; D91-H362 WeakPolarHBondContact CA-O 3.03Å; D91-H362 HydrophobicContact CB-CB 4.44Å; D91-H362 WeakPolarHBondContact CB-O 3.29Å; D91-H362 VanDerWaalsContact OD1-CB 3.3Å; D91-H362 WeakPolarHBondContact OD1-CB 3.04Å; D91-H362 PolarHBondContact OD1-N 3.08Å; D91-F364 HydrophobicContact CB-CD2 4.25Å; D91-F364 HydrophobicContact CB-CE2 4.03Å; D91-L415 HydrophobicContact CB-CD1 3.87Å; D91-S416 PolarHBondContact N-OG 2.86Å; D91-S416 WeakPolarHBondContact OD2-CB 3.49Å; D91-S416 PolarHBondContact OD2-N 2.75Å; D91-S416 PolarHBondContact OD2-OG 3.19Å; D91-F419 HydrophobicContact CB-CB 4.44Å; D91-F419 CarbonylContact O-C 3.55Å; D91-F419 WeakPolarHBondContact O-CA 3.5Å; D91-I420 PolarHBondContact O-N 3.23Å
92V95.1Very high71.6Confident0 Ų054.9 Ų54.90%031%0.31CS..EExtended strand (participates in β ladder)trans-108.4142.5166.2164.40000109.9Y94 V360 H362 I363 F364 I420 L422V92-Y94 HydrophobicContact CG1-CD2 3.63Å; V92-Y94 HydrophobicContact CG1-CE2 3.34Å; V92-V360 HydrophobicContact CB-CG1 4.01Å; V92-V360 HydrophobicContact CG2-CB 4.37Å; V92-V360 HydrophobicContact CG2-CG1 3.68Å; V92-V360 HydrophobicContact CG2-CG2 3.7Å; V92-H362 PolarHBondContact N-O 2.79Å; V92-I363 HydrophobicContact CG1-CG2 4.38Å; V92-I363 WeakPolarHBondContact O-CA 3.39Å; V92-F364 PolarHBondContact O-N 3.32Å; V92-I420 CarbonylContact C-O 3.58Å; V92-I420 WeakPolarHBondContact CA-O 3.45Å; V92-I420 HydrophobicContact CG2-CB 4.4Å; V92-L422 HydrophobicContact CB-CD1 4.49Å; V92-L422 HydrophobicContact CG1-CD1 3.65Å; V92-L422 HydrophobicContact CG2-CD1 4.09Å
93V96.8Very high73.7Confident0 Ų052 Ų520%029%0.292CS..EExtended strand (participates in β ladder)trans-123.4126171.3-175.50000109F364 V366 I409 I412 L415 F419 I420 Y421 L422V93-F364 CarbonylContact C-O 3.57Å; V93-F364 WeakPolarHBondContact CA-O 3.04Å; V93-F364 HydrophobicContact CG1-CB 4.46Å; V93-F364 HydrophobicContact CG2-CB 4.29Å; V93-F364 HydrophobicContact CG2-CD2 4.39Å; V93-V366 HydrophobicContact CG1-CG2 3.89Å; V93-I409 HydrophobicContact CG1-CB 4.22Å; V93-I412 HydrophobicContact CG1-CD1 3.63Å; V93-I412 HydrophobicContact CG2-CD1 4.03Å; V93-L415 HydrophobicContact CG2-CD1 3.5Å; V93-L415 VanDerWaalsContact CG2-CD1 3.5Å; V93-L415 HydrophobicContact CG2-CD2 4.21Å; V93-F419 HydrophobicContact CB-CD2 4.14Å; V93-F419 HydrophobicContact CB-CE2 4.36Å; V93-F419 HydrophobicContact CG2-CD2 3.52Å; V93-F419 HydrophobicContact CG2-CE2 3.98Å; V93-F419 HydrophobicContact CG2-CG 4.28Å; V93-I420 PolarHBondContact N-O 3.08Å; V93-Y421 WeakPolarHBondContact O-CA 3.18Å; V93-Y421 WeakPolarHBondContact O-CD2 3.3Å; V93-L422 PolarHBondContact O-N 3.27Å
94Y95Very high76Confident0 Ų043.7 Ų43.70%026%0.261CS..EExtended strand (participates in β ladder)trans-105151169.4-75.3-87.3000111.5V92 L346 S349 L350 V353 I363 F364 V366 L422V92-Y94 HydrophobicContact CG1-CD2 3.63Å; V92-Y94 HydrophobicContact CG1-CE2 3.34Å; Y94-L346 HydrophobicContact CD1-CD1 3.55Å; Y94-L346 HydrophobicContact CD2-CD1 4.19Å; Y94-L346 HydrophobicContact CE1-CD1 3.94Å; Y94-L346 HydrophobicContact CG-CD1 3.68Å; Y94-S349 VanDerWaalsContact CE1-OG 3.29Å; Y94-S349 WeakPolarHBondContact CE1-OG 3.32Å; Y94-S349 PolarHBondContact OH-OG 2.67Å; Y94-L350 HydrophobicContact CD2-CD2 4.03Å; Y94-L350 HydrophobicContact CE2-CD2 3.45Å; Y94-L350 VanDerWaalsContact CE2-CD2 3.45Å; Y94-V353 HydrophobicContact CE2-CG2 4.43Å; Y94-V353 WeakPolarHBondContact OH-CG2 3.44Å; Y94-I363 HydrophobicContact CD2-CG2 3.87Å; Y94-I363 HydrophobicContact CE2-CG2 4.05Å; Y94-F364 PolarHBondContact N-O 3.42Å; Y94-V366 WeakPolarHBondContact O-CB 3Å; Y94-V366 PolarHBondContact O-N 2.89Å; Y94-L422 WeakPolarHBondContact CA-O 3.02Å; Y94-L422 HydrophobicContact CD1-CB 3.79Å; Y94-L422 WeakPolarHBondContact CD1-O 3.32Å; Y94-L422 HydrophobicContact CE1-CB 3.49Å; Y94-L422 VanDerWaalsContact CE1-CB 3.49Å; Y94-L422 HydrophobicContact CE1-CD2 4.24Å; Y94-L422 HydrophobicContact CE1-CG 4.41Å
95T90.7Very high78.1Confident9 Ų941.1 Ų41.16%0.05525%0.248CC..EExtended strand (participates in β ladder)trans-106.8135.2154.744.90000109.5V366 I405 Y421 F868T95-V366 WeakPolarHBondContact CA-O 3.31Å; T95-V366 HydrophobicContact CG2-CB 4.16Å; T95-V366 HydrophobicContact CG2-CG1 4.45Å; T95-I405 HydrophobicContact CG2-CG2 3.99Å; T95-Y421 HydrophobicContact CG2-CE2 3.96Å; T95-Y421 PolarHBondContact OG1-OH 3.32Å; T95-Y421 VanDerWaalsContact OG1-OH 3.1Å; T95-F868 WeakPolarHBondContact OG1-CE1 3.22Å
96W89.4Confident80Confident7 Ų742.3 Ų42.33%0.02724%0.237CC..  trans-146.8144.5178174.483.8000111.6N98 L346 I365 V366 T367 Q370 P372 D424W96-N98 HydrophobicContact CH2-CB 3.63Å; W96-N98 HydrophobicContact CZ2-CB 3.91Å; W96-N98 HydrophobicContact CZ3-CB 4.22Å; W96-L346 HydrophobicContact CB-CD2 3.89Å; W96-L346 HydrophobicContact CD2-CD2 4.11Å; W96-L346 HydrophobicContact CG-CD2 3.63Å; W96-I365 HydrophobicContact CB-CG2 4.21Å; W96-V366 PolarHBondContact N-O 3.06Å; W96-T367 HydrophobicContact CE3-CG2 3.83Å; W96-Q370 HydrophobicContact CZ3-CB 3.96Å; W96-P372 HydrophobicContact CD2-CG 4.19Å; W96-P372 HydrophobicContact CE3-CG 3.91Å; W96-P372 HydrophobicContact CH2-CB 3.9Å; W96-P372 HydrophobicContact CH2-CG 3.69Å; W96-P372 HydrophobicContact CZ2-CB 4.09Å; W96-P372 HydrophobicContact CZ2-CG 4.01Å; W96-P372 HydrophobicContact CZ3-CB 4.36Å; W96-P372 HydrophobicContact CZ3-CG 3.66Å; W96-D424 VanDerWaalsContact CD1-OD2 3.24Å
97V82.4Confident82.1Confident19 Ų1940.7 Ų40.712%0.11523%0.227CC..  trans-140.6124.3176.9-176.20000110.6G99 L104 L869 W871V97-G99 PolarHBondContact O-N 3.37Å; V97-L104 HydrophobicContact CG1-CD1 4.19Å; V97-L104 HydrophobicContact CG1-CD2 3.38Å; V97-L104 HydrophobicContact CG1-CG 4.43Å; V97-L869 HydrophobicContact CG2-CD2 4Å; V97-W871 HydrophobicContact CB-CH2 4.46Å; V97-W871 HydrophobicContact CG1-CH2 3.92Å; V97-W871 HydrophobicContact CG1-CZ3 3.89Å; V97-W871 HydrophobicContact CG2-CH2 4.33Å
98N81.9Confident83.6Confident36 Ų3637.6 Ų37.619%0.19321%0.207CC..  trans-75.1107.1167.5177.218.9000110.3W96 T100 D101 L104 Q370W96-N98 HydrophobicContact CH2-CB 3.63Å; W96-N98 HydrophobicContact CZ2-CB 3.91Å; W96-N98 HydrophobicContact CZ3-CB 4.22Å; N98-T100 VanDerWaalsContact C-N 3.26Å; N98-T100 VanDerWaalsContact CG-OG1 3.28Å; N98-T100 PolarHBondContact ND2-OG1 2.98Å; N98-T100 VanDerWaalsContact ND2-OG1 3.07Å; N98-T100 PolarHBondContact O-N 3.16Å; N98-T100 PolarHBondContact OD1-N 3.4Å; N98-T100 PolarHBondContact OD1-OG1 2.04Å; N98-D101 PolarHBondContact O-N 3.16Å; N98-L104 VanDerWaalsContact O-CD2 3.23Å; N98-L104 WeakPolarHBondContact O-CD2 3.14Å; N98-Q370 PolarHBondContact O-NE2 2.72Å
99G71.2Confident84.6Confident3 Ų338 Ų383%0.03121%0.206CC..THydrogen-bonded Turntrans-61.9-28.5175.400000114.3V97 D101 F340V97-G99 PolarHBondContact O-N 3.37Å; G99-D101 PolarHBondContact O-N 3.41Å; G99-F340 CarbonylContact C-O 3.55Å; G99-F340 WeakPolarHBondContact CA-O 3.41Å; G99-F340 WeakPolarHBondContact O-CB 3.36Å; G99-F340 WeakPolarHBondContact O-CD1 3.4Å; G99-F340 WeakPolarHBondContact O-CG 3.26Å
100T70.1Confident85.1Confident64 Ų6437 Ų3739%0.39320%0.204SC..THydrogen-bonded Turntrans-75.3-9.1-175.664.30000114.5N98 V102 F340N98-T100 VanDerWaalsContact C-N 3.26Å; N98-T100 VanDerWaalsContact CG-OG1 3.28Å; N98-T100 PolarHBondContact ND2-OG1 2.98Å; N98-T100 VanDerWaalsContact ND2-OG1 3.07Å; N98-T100 PolarHBondContact O-N 3.16Å; N98-T100 PolarHBondContact OD1-N 3.4Å; N98-T100 PolarHBondContact OD1-OG1 2.04Å; T100-V102 PolarHBondContact O-N 2.88Å; T100-F340 HydrophobicContact CG2-CB 4.03Å; T100-F340 WeakPolarHBondContact CG2-O 3.45Å; T100-F340 PolarHBondContact N-O 2.9Å; T100-F340 VanDerWaalsContact N-O 3.15Å
101D80.2Confident85.1Confident20 Ų2036.9 Ų36.911%0.10720%0.203CC..  trans-69.6128.2-171.9168.837.9000113.3N98 G99 A103 L104 L105 Q370 H1171N98-D101 PolarHBondContact O-N 3.16Å; G99-D101 PolarHBondContact O-N 3.41Å; D101-A103 VanDerWaalsContact C-N 3.31Å; D101-A103 PolarHBondContact O-N 2.73Å; D101-A103 PolarHBondContact OD1-N 3.11Å; D101-L104 HydrophobicContact CB-CB 4.1Å; D101-L104 PolarHBondContact O-N 2.93Å; D101-L104 VanDerWaalsContact OD2-CB 3.32Å; D101-L104 WeakPolarHBondContact OD2-CB 3.49Å; D101-L104 PolarHBondContact OD2-N 2.96Å; D101-L105 WeakPolarHBondContact O-CB 3.34Å; D101-L105 WeakPolarHBondContact O-CG 3.42Å; D101-L105 PolarHBondContact O-N 2.77Å; D101-Q370 PolarHBondContact OD2-NE2 3.45Å; D101-H1171 IonicContact OD1-CE1 2.57Å; D101-H1171 IonicContact OD1-NE2 3.08Å; D101-H1171 PolarHBondContact OD1-NE2 3.47Å; D101-H1171 IonicContact OD2-NE2 2.93Å
102V80.9Confident84.6Confident117 Ų11739.6 Ų39.671%0.70922%0.215SC*.Hα-helixtrans-67.8-28.7-178.9-174.90000112.2T100 K106T100-V102 PolarHBondContact O-N 2.88Å; V102-K106 WeakPolarHBondContact O-CB 3.43Å; V102-K106 PolarHBondContact O-N 2.81Å
103A83Confident84.2Confident44 Ų4444.1 Ų44.136%0.36424%0.236SC..Hα-helixtrans-70-55.2175.500000110.6D101 L105 K106 E107D101-A103 VanDerWaalsContact C-N 3.31Å; D101-A103 PolarHBondContact O-N 2.73Å; D101-A103 PolarHBondContact OD1-N 3.11Å; A103-L105 VanDerWaalsContact C-N 3.33Å; A103-L105 PolarHBondContact O-N 3.14Å; A103-K106 WeakPolarHBondContact O-CB 3.47Å; A103-K106 PolarHBondContact O-N 3.42Å; A103-E107 PolarHBondContact O-N 3.32Å
104L84.7Confident83.6Confident1 Ų147.9 Ų47.91%0.00525%0.254CS..Hα-helixtrans-51.9-46.8174179.976.1000113.1V97 N98 D101 K106 E107 L108 F400 W871V97-L104 HydrophobicContact CG1-CD1 4.19Å; V97-L104 HydrophobicContact CG1-CD2 3.38Å; V97-L104 HydrophobicContact CG1-CG 4.43Å; N98-L104 VanDerWaalsContact O-CD2 3.23Å; N98-L104 WeakPolarHBondContact O-CD2 3.14Å; D101-L104 HydrophobicContact CB-CB 4.1Å; D101-L104 PolarHBondContact O-N 2.93Å; D101-L104 VanDerWaalsContact OD2-CB 3.32Å; D101-L104 WeakPolarHBondContact OD2-CB 3.49Å; D101-L104 PolarHBondContact OD2-N 2.96Å; L104-K106 PolarHBondContact O-N 2.58Å; L104-E107 PolarHBondContact O-N 3.39Å; L104-L108 HydrophobicContact CD1-CD1 4.47Å; L104-L108 HydrophobicContact CD2-CD1 4.42Å; L104-L108 HydrophobicContact CG-CD1 3.95Å; L104-L108 HydrophobicContact CG-CG 4.47Å; L104-L108 WeakPolarHBondContact O-CB 3.41Å; L104-L108 WeakPolarHBondContact O-CG 3.1Å; L104-L108 PolarHBondContact O-N 2.64Å; L104-F400 HydrophobicContact CD1-CD1 4.24Å; L104-F400 HydrophobicContact CD1-CE1 3.65Å; L104-W871 HydrophobicContact CD1-CH2 4.38Å; L104-W871 HydrophobicContact CD1-CZ3 4.47Å; L104-W871 HydrophobicContact CD2-CZ3 4.01Å
105L82Confident83Confident56 Ų5648.6 Ų48.629%0.29326%0.258SS..Hα-helixtrans-60.8-33.4178.7-71.9171.6000112.8D101 A103 K109 F340D101-L105 WeakPolarHBondContact O-CB 3.34Å; D101-L105 WeakPolarHBondContact O-CG 3.42Å; D101-L105 PolarHBondContact O-N 2.77Å; A103-L105 VanDerWaalsContact C-N 3.33Å; A103-L105 PolarHBondContact O-N 3.14Å; L105-K109 WeakPolarHBondContact O-CB 3.5Å; L105-K109 PolarHBondContact O-N 2.89Å; L105-F340 HydrophobicContact CD2-CD1 3.8Å; L105-F340 HydrophobicContact CD2-CD2 4.46Å; L105-F340 HydrophobicContact CD2-CE1 3.24Å; L105-F340 HydrophobicContact CD2-CE2 3.95Å; L105-F340 HydrophobicContact CD2-CG 4.4Å; L105-F340 HydrophobicContact CD2-CZ 3.3Å
106K84.4Confident82.6Confident161 Ų16152.2 Ų52.270%0.727%0.274SS*.Hα-helixtrans-73.2-40.3175.9-175.1-166.9172.5-160.80111.5V102 A103 L104 K109 A110V102-K106 WeakPolarHBondContact O-CB 3.43Å; V102-K106 PolarHBondContact O-N 2.81Å; A103-K106 WeakPolarHBondContact O-CB 3.47Å; A103-K106 PolarHBondContact O-N 3.42Å; L104-K106 PolarHBondContact O-N 2.58Å; K106-K109 PolarHBondContact O-N 2.71Å; K106-A110 PolarHBondContact O-N 3.34Å
107E85.9Confident82.4Confident72 Ų7258.8 Ų58.834%0.33631%0.305SS..Hα-helixtrans-67.8-43.9176.6-63.4-179.5175.200112.1A103 L104 K109 A110 V111 N368 F400A103-E107 PolarHBondContact O-N 3.32Å; L104-E107 PolarHBondContact O-N 3.39Å; E107-K109 VanDerWaalsContact C-N 3.26Å; E107-K109 PolarHBondContact O-N 2.67Å; E107-A110 PolarHBondContact O-N 2.86Å; E107-A110 VanDerWaalsContact O-N 3.12Å; E107-V111 PolarHBondContact O-N 3.41Å; E107-N368 PolarHBondContact OE2-ND2 2.96Å; E107-F400 HydrophobicContact CB-CE2 4.38Å; E107-F400 HydrophobicContact CB-CZ 3.67Å
108L84.6Confident82.4Confident5 Ų562 Ų623%0.02632%0.318CS..Hα-helixtrans-56-41.6173.1-77.8166.5000111.7L104 K112 F400 W871 F877L104-L108 HydrophobicContact CD1-CD1 4.47Å; L104-L108 HydrophobicContact CD2-CD1 4.42Å; L104-L108 HydrophobicContact CG-CD1 3.95Å; L104-L108 HydrophobicContact CG-CG 4.47Å; L104-L108 WeakPolarHBondContact O-CB 3.41Å; L104-L108 WeakPolarHBondContact O-CG 3.1Å; L104-L108 PolarHBondContact O-N 2.64Å; L108-K112 WeakPolarHBondContact O-CB 3.47Å; L108-K112 PolarHBondContact O-N 3.27Å; L108-F400 HydrophobicContact CD2-CB 4.08Å; L108-F400 HydrophobicContact CD2-CD1 3.84Å; L108-F400 HydrophobicContact CD2-CD2 3.6Å; L108-F400 HydrophobicContact CD2-CE1 4.19Å; L108-F400 HydrophobicContact CD2-CE2 3.94Å; L108-F400 HydrophobicContact CD2-CG 3.54Å; L108-F400 HydrophobicContact CD2-CZ 4.23Å; L108-F400 HydrophobicContact CG-CD1 4.36Å; L108-F400 HydrophobicContact CG-CD2 4.38Å; L108-F400 HydrophobicContact CG-CE1 4.25Å; L108-F400 HydrophobicContact CG-CE2 4.23Å; L108-F400 HydrophobicContact CG-CG 4.45Å; L108-F400 HydrophobicContact CG-CZ 4.18Å; L108-W871 HydrophobicContact CD1-CD2 4.28Å; L108-W871 HydrophobicContact CD1-CE3 3.83Å; L108-W871 HydrophobicContact CD1-CZ3 4.22Å; L108-W871 HydrophobicContact CD2-CD2 3.89Å; L108-W871 HydrophobicContact CD2-CE3 4.24Å; L108-W871 HydrophobicContact CD2-CG 4.1Å; L108-F877 HydrophobicContact CD2-CE2 3.81Å; L108-F877 HydrophobicContact CD2-CZ 3.83Å
109K82.7Confident82.2Confident100 Ų10060.4 Ų60.444%0.43531%0.31SS..Hα-helixtrans-68-40.2175.7-175.1174.2175.6-69.10112.2L105 K106 E107 K112 E113L105-K109 WeakPolarHBondContact O-CB 3.5Å; L105-K109 PolarHBondContact O-N 2.89Å; K106-K109 PolarHBondContact O-N 2.71Å; E107-K109 VanDerWaalsContact C-N 3.26Å; E107-K109 PolarHBondContact O-N 2.67Å; K109-K112 WeakPolarHBondContact O-CB 3.21Å; K109-K112 PolarHBondContact O-N 3.16Å; K109-E113 IonicContact NZ-OE1 3.46Å; K109-E113 PolarHBondContact NZ-OE1 2.77Å; K109-E113 IonicContact NZ-OE2 2.76Å; K109-E113 PolarHBondContact NZ-OE2 2.76Å; K109-E113 WeakPolarHBondContact O-CG 3.17Å; K109-E113 PolarHBondContact O-N 3.45Å
110A86.9Confident82.6Confident52 Ų5265.8 Ų65.843%0.4333%0.332SS..Hα-helixtrans-65.6-42.6177.500000112.4K106 E107 K112 E113 Q114K106-A110 PolarHBondContact O-N 3.34Å; E107-A110 PolarHBondContact O-N 2.86Å; E107-A110 VanDerWaalsContact O-N 3.12Å; A110-K112 VanDerWaalsContact C-N 3.31Å; A110-K112 PolarHBondContact O-N 3.26Å; A110-E113 PolarHBondContact O-N 3.02Å; A110-Q114 PolarHBondContact O-N 3.12Å
111V85.6Confident83.1Confident8 Ų864.9 Ų64.95%0.04833%0.331CS..Hα-helixtrans-65-35.9173.41690000111.2E107 Q114 L115 P398 F400 F877 R961E107-V111 PolarHBondContact O-N 3.41Å; V111-Q114 PolarHBondContact O-N 2.82Å; V111-L115 HydrophobicContact CG1-CD1 4.24Å; V111-L115 WeakPolarHBondContact O-CG 3.4Å; V111-L115 PolarHBondContact O-N 2.98Å; V111-P398 HydrophobicContact CG2-CG 4.38Å; V111-F400 HydrophobicContact CB-CD2 4.42Å; V111-F400 HydrophobicContact CB-CE2 4.14Å; V111-F400 HydrophobicContact CG1-CD2 4.47Å; V111-F400 HydrophobicContact CG2-CD2 4.31Å; V111-F400 HydrophobicContact CG2-CE2 3.76Å; V111-F877 HydrophobicContact CG1-CE1 4.36Å; V111-R961 HydrophobicContact CG1-CB 3.93Å; V111-R961 HydrophobicContact CG1-CG 4.46Å
112K83.1Confident82.8Confident57 Ų5765.4 Ų65.425%0.24833%0.334CS..Hα-helixtrans-62.2-46.5172.5-174.3175.2169.2162.10112.1L108 K109 A110 Q114 L115 E116 Y876 F877 L880L108-K112 WeakPolarHBondContact O-CB 3.47Å; L108-K112 PolarHBondContact O-N 3.27Å; K109-K112 WeakPolarHBondContact O-CB 3.21Å; K109-K112 PolarHBondContact O-N 3.16Å; A110-K112 VanDerWaalsContact C-N 3.31Å; A110-K112 PolarHBondContact O-N 3.26Å; K112-Q114 VanDerWaalsContact C-N 3.32Å; K112-Q114 PolarHBondContact O-N 3.06Å; K112-L115 PolarHBondContact O-N 2.97Å; K112-E116 WeakPolarHBondContact CE-OE1 3.46Å; K112-E116 IonicContact NZ-OE1 3.54Å; K112-E116 WeakPolarHBondContact O-CG 3.26Å; K112-E116 PolarHBondContact O-N 3.06Å; K112-Y876 HydrophobicContact CB-CE1 4.24Å; K112-Y876 HydrophobicContact CD-CE1 3.78Å; K112-Y876 HydrophobicContact CG-CE1 4.47Å; K112-F877 HydrophobicContact CB-CD1 4.5Å; K112-F877 HydrophobicContact CB-CE1 3.89Å; K112-F877 HydrophobicContact CG-CE1 4.5Å; K112-L880 HydrophobicContact CD-CD1 4.41Å; K112-L880 HydrophobicContact CG-CD1 3.65Å
113E85.7Confident82.2Confident95 Ų9564.9 Ų64.944%0.44432%0.319SS..Hα-helixtrans-63.4-37.9177.6-72.4173.714300111.4K109 A110 E116 E117K109-E113 IonicContact NZ-OE1 3.46Å; K109-E113 PolarHBondContact NZ-OE1 2.77Å; K109-E113 IonicContact NZ-OE2 2.76Å; K109-E113 PolarHBondContact NZ-OE2 2.76Å; K109-E113 WeakPolarHBondContact O-CG 3.17Å; K109-E113 PolarHBondContact O-N 3.45Å; A110-E113 PolarHBondContact O-N 3.02Å; E113-E116 PolarHBondContact O-N 2.92Å; E113-E117 PolarHBondContact O-N 2.68Å
114Q85.4Confident81.9Confident80 Ų8067.9 Ų67.937%0.37433%0.326SS..Hα-helixtrans-61.9-47.4172.8-178.7-179.1-18.900112.5A110 V111 K112 E116 E117 E118A110-Q114 PolarHBondContact O-N 3.12Å; V111-Q114 PolarHBondContact O-N 2.82Å; K112-Q114 VanDerWaalsContact C-N 3.32Å; K112-Q114 PolarHBondContact O-N 3.06Å; Q114-E116 VanDerWaalsContact C-N 3.29Å; Q114-E116 PolarHBondContact O-N 3.45Å; Q114-E117 PolarHBondContact O-N 3.29Å; Q114-E117 VanDerWaalsContact O-N 3.1Å; Q114-E118 HydrophobicContact CG-CG 4.43Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.37Å; Q114-E118 PolarHBondContact NE2-OE1 2.95Å; Q114-E118 WeakPolarHBondContact O-CG 3.03Å; Q114-E118 PolarHBondContact O-N 3.05Å
115L81.9Confident81.1Confident15 Ų1574.1 Ų74.18%0.07936%0.355CS..Hα-helixtrans-62.4-36.3177.4-71168.7000111.8V111 K112 E117 E118 Q119 F877 L880 V962V111-L115 HydrophobicContact CG1-CD1 4.24Å; V111-L115 WeakPolarHBondContact O-CG 3.4Å; V111-L115 PolarHBondContact O-N 2.98Å; K112-L115 PolarHBondContact O-N 2.97Å; L115-E117 VanDerWaalsContact C-N 3.35Å; L115-E118 PolarHBondContact O-N 3.11Å; L115-Q119 WeakPolarHBondContact O-CB 3.36Å; L115-Q119 VanDerWaalsContact O-CG 3.27Å; L115-Q119 WeakPolarHBondContact O-CG 3.4Å; L115-Q119 PolarHBondContact O-N 3Å; L115-F877 HydrophobicContact CD1-CD1 3.97Å; L115-F877 HydrophobicContact CD1-CE1 4.27Å; L115-L880 HydrophobicContact CB-CD1 4.08Å; L115-V962 HydrophobicContact CD1-CG2 4.42Å
116E82.8Confident80.4Confident84 Ų8474.2 Ų74.239%0.39336%0.356SS..Hα-helixtrans-65.9-34.6173.7-73.9175.8-169.900112.3K112 E113 Q114 K120 L880K112-E116 WeakPolarHBondContact CE-OE1 3.46Å; K112-E116 IonicContact NZ-OE1 3.54Å; K112-E116 WeakPolarHBondContact O-CG 3.26Å; K112-E116 PolarHBondContact O-N 3.06Å; E113-E116 PolarHBondContact O-N 2.92Å; Q114-E116 VanDerWaalsContact C-N 3.29Å; Q114-E116 PolarHBondContact O-N 3.45Å; E116-K120 WeakPolarHBondContact O-CB 3.38Å; E116-K120 PolarHBondContact O-N 3.21Å; E116-K120 VanDerWaalsContact O-N 3.12Å; E116-L880 HydrophobicContact CG-CD1 3.87Å; E116-L880 HydrophobicContact CG-CD2 3.6Å; E116-L880 HydrophobicContact CG-CG 4.42Å
117E85.9Confident79.1Confident146 Ų14668.8 Ų68.868%0.68235%0.345SS*.Hα-helixtrans-72.3-40.1172-72.4-168.7162.400113.1E113 Q114 L115 K120 A121E113-E117 PolarHBondContact O-N 2.68Å; Q114-E117 PolarHBondContact O-N 3.29Å; Q114-E117 VanDerWaalsContact O-N 3.1Å; L115-E117 VanDerWaalsContact C-N 3.35Å; E117-K120 CarbonylContact O-C 3.56Å; E117-K120 WeakPolarHBondContact O-CB 3.47Å; E117-K120 PolarHBondContact O-N 3.24Å; E117-K120 VanDerWaalsContact O-N 3.15Å; E117-A121 PolarHBondContact O-N 2.97Å
118E81.4Confident77.2Confident85 Ų8573.9 Ų73.940%0.39737%0.366SS..Hα-helixtrans-65.3-41.4177.1-73.8169.9178.200111.2Q114 L115 K120 A121 L122Q114-E118 HydrophobicContact CG-CG 4.43Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.37Å; Q114-E118 PolarHBondContact NE2-OE1 2.95Å; Q114-E118 WeakPolarHBondContact O-CG 3.03Å; Q114-E118 PolarHBondContact O-N 3.05Å; L115-E118 PolarHBondContact O-N 3.11Å; E118-K120 VanDerWaalsContact C-N 3.32Å; E118-K120 PolarHBondContact O-N 3.36Å; E118-A121 WeakPolarHBondContact O-CB 3.06Å; E118-A121 PolarHBondContact O-N 3.4Å; E118-L122 PolarHBondContact O-N 3.45Å
119Q77.6Confident75.4Confident4 Ų481.3 Ų81.32%0.01941%0.406CS..Hα-helixtrans-62.9-36.3169.7-72.4179.315.300113.2L115 A121 L122 R123 L880 E884 L887L115-Q119 WeakPolarHBondContact O-CB 3.36Å; L115-Q119 VanDerWaalsContact O-CG 3.27Å; L115-Q119 WeakPolarHBondContact O-CG 3.4Å; L115-Q119 PolarHBondContact O-N 3Å; Q119-A121 VanDerWaalsContact C-N 3.34Å; Q119-L122 PolarHBondContact O-N 3.24Å; Q119-R123 VanDerWaalsContact O-CG 3.31Å; Q119-R123 WeakPolarHBondContact O-CG 3.02Å; Q119-R123 PolarHBondContact O-N 3.04Å; Q119-L880 VanDerWaalsContact NE2-C 3.3Å; Q119-L880 PolarHBondContact NE2-O 3.44Å; Q119-E884 HydrophobicContact CG-CB 4.25Å; Q119-L887 HydrophobicContact CB-CD1 3.98Å; Q119-L887 HydrophobicContact CG-CD1 4.17Å
120K78.9Confident73.3Confident115 Ų11579.5 Ų79.550%0.541%0.41SS..Hα-helixtrans-65.6-39.5173.6-177.9175.9172.2-71.90110.9E116 E117 E118 R123 E124E116-K120 WeakPolarHBondContact O-CB 3.38Å; E116-K120 PolarHBondContact O-N 3.21Å; E116-K120 VanDerWaalsContact O-N 3.12Å; E117-K120 CarbonylContact O-C 3.56Å; E117-K120 WeakPolarHBondContact O-CB 3.47Å; E117-K120 PolarHBondContact O-N 3.24Å; E117-K120 VanDerWaalsContact O-N 3.15Å; E118-K120 VanDerWaalsContact C-N 3.32Å; E118-K120 PolarHBondContact O-N 3.36Å; K120-R123 PolarHBondContact O-N 2.93Å; K120-E124 WeakPolarHBondContact CE-OE1 3.38Å; K120-E124 IonicContact NZ-OE1 3.07Å; K120-E124 PolarHBondContact NZ-OE1 3.35Å; K120-E124 WeakPolarHBondContact O-CB 3.15Å; K120-E124 WeakPolarHBondContact O-CG 3.11Å; K120-E124 PolarHBondContact O-N 3.17Å
121A80.9Confident70.9Confident45 Ų4585.1 Ų85.137%0.37243%0.433SS..Hα-helixtrans-64.6-41173.500000112.4E117 E118 Q119 E124 Q125E117-A121 PolarHBondContact O-N 2.97Å; E118-A121 WeakPolarHBondContact O-CB 3.06Å; E118-A121 PolarHBondContact O-N 3.4Å; Q119-A121 VanDerWaalsContact C-N 3.34Å; A121-E124 CarbonylContact O-C 3.55Å; A121-E124 PolarHBondContact O-N 3.44Å; A121-Q125 WeakPolarHBondContact O-CG 3.23Å; A121-Q125 PolarHBondContact O-N 2.89Å
122L73.9Confident68.4Low31 Ų3191.7 Ų91.716%0.16247%0.467CS..Hα-helixtrans-59.6-46.2172.8-76.1163000111.8E118 Q119 E124 Q125 L126 E884 L887 L891E118-L122 PolarHBondContact O-N 3.45Å; Q119-L122 PolarHBondContact O-N 3.24Å; L122-E124 VanDerWaalsContact C-N 3.33Å; L122-E124 PolarHBondContact O-N 3.44Å; L122-Q125 PolarHBondContact O-N 2.64Å; L122-L126 WeakPolarHBondContact O-CG 3.45Å; L122-L126 PolarHBondContact O-N 3.06Å; L122-E884 HydrophobicContact CD1-CG 4.23Å; L122-L887 HydrophobicContact CB-CB 4.38Å; L122-L887 HydrophobicContact CB-CD1 4.37Å; L122-L891 HydrophobicContact CD2-CD1 3.58Å
123R68.3Low65.9Low106 Ų10695 Ų9540%0.449%0.493SS..Hα-helixtrans-60.2-39.8173-69.9171.9-172.7125.2-5.6112.3Q119 K120 G127 E883 L887Q119-R123 VanDerWaalsContact O-CG 3.31Å; Q119-R123 WeakPolarHBondContact O-CG 3.02Å; Q119-R123 PolarHBondContact O-N 3.04Å; K120-R123 PolarHBondContact O-N 2.93Å; R123-G127 WeakPolarHBondContact O-CA 3.49Å; R123-G127 PolarHBondContact O-N 3.1Å; R123-E883 IonicContact CZ-OE1 3.87Å; R123-E883 IonicContact NE-OE1 3.7Å; R123-E883 PolarHBondContact NE-OE1 3.28Å; R123-E883 IonicContact NH2-OE1 2.82Å; R123-E883 PolarHBondContact NH2-OE1 3.34Å; R123-L887 HydrophobicContact CG-CD1 3.92Å; R123-L887 HydrophobicContact CG-CD2 3.57Å; R123-L887 HydrophobicContact CG-CG 4.43Å
124E77.5Confident63.4Low107 Ų10796.9 Ų96.950%0.551%0.511SS..Hα-helixtrans-71.3-27.4176.7-75.2177.3-155.600113.5K120 A121 L122K120-E124 WeakPolarHBondContact CE-OE1 3.38Å; K120-E124 IonicContact NZ-OE1 3.07Å; K120-E124 PolarHBondContact NZ-OE1 3.35Å; K120-E124 WeakPolarHBondContact O-CB 3.15Å; K120-E124 WeakPolarHBondContact O-CG 3.11Å; K120-E124 PolarHBondContact O-N 3.17Å; A121-E124 CarbonylContact O-C 3.55Å; A121-E124 PolarHBondContact O-N 3.44Å; L122-E124 VanDerWaalsContact C-N 3.33Å; L122-E124 PolarHBondContact O-N 3.44Å
125Q67.6Low60.8Low133 Ų13398.9 Ų98.962%0.62152%0.52SS*.Hα-helixtrans-72.2-45.2171.8-74.6-178.45.900111.9A121 L122 G127A121-Q125 WeakPolarHBondContact O-CG 3.23Å; A121-Q125 PolarHBondContact O-N 2.89Å; L122-Q125 PolarHBondContact O-N 2.64Å; Q125-G127 VanDerWaalsContact C-N 3.25Å; Q125-G127 PolarHBondContact O-N 3.29Å
126L66.6Low58.3Low58 Ų58104 Ų10430%0.30455%0.552SS.*Hα-helixtrans-59.5-38.9170.3-70.1164.6000111.1L122 K128 L887 E890 L891L122-L126 WeakPolarHBondContact O-CG 3.45Å; L122-L126 PolarHBondContact O-N 3.06Å; L126-K128 VanDerWaalsContact C-N 3.31Å; L126-K128 PolarHBondContact O-N 2.98Å; L126-K128 VanDerWaalsContact O-N 3.15Å; L126-L887 HydrophobicContact CD1-CD2 3.85Å; L126-E890 HydrophobicContact CD1-CB 4.27Å; L126-L891 HydrophobicContact CD2-CB 4.2Å; L126-L891 HydrophobicContact CD2-CD1 4.4Å; L126-L891 HydrophobicContact CD2-CG 3.88Å; L126-L891 HydrophobicContact CG-CD1 4.26Å; L126-L891 HydrophobicContact CG-CG 4.29Å
127G58Low55.7Low47 Ų47105.5 Ų105.549%0.48557%0.569SS.*THydrogen-bonded Turntrans-77.517.3-172.600000117.9R123 Q125R123-G127 WeakPolarHBondContact O-CA 3.49Å; R123-G127 PolarHBondContact O-N 3.1Å; Q125-G127 VanDerWaalsContact C-N 3.25Å; Q125-G127 PolarHBondContact O-N 3.29Å
128K47.2Very low53.3Low178 Ų178102.8 Ų102.877%0.77456%0.555SS**THydrogen-bonded Turntrans-970.4-179.9-101.8177.6-178169.10116.9L126L126-K128 VanDerWaalsContact C-N 3.31Å; L126-K128 PolarHBondContact O-N 2.98Å; L126-K128 VanDerWaalsContact O-N 3.15Å
129N45.3Very low50.9Low162 Ų162106.6 Ų106.687%0.86658%0.578SS**SBendtrans-14524.2169.5-87.7-55000113
130A39Very low48.8Very low62 Ų62111.3 Ų111.351%0.51261%0.611SS.*  trans-121.578.4179.200000109.8
131N36.8Very low47Very low169 Ų169112.8 Ų112.890%0.90462%0.624SS**  trans-95.90.3178.6-148.868.5000113.1
132D33.3Very low45.1Very low146 Ų146118.6 Ų118.678%0.78164%0.641SS**SBendtrans-94.2125158.4-74.6-55000108.3T134D132-T134 PolarHBondContact O-N 3.42Å; D132-T134 VanDerWaalsContact O-N 3.07Å
133T30.7Very low43.8Very low127 Ų127120.8 Ų120.878%0.77966%0.658SS**  trans-70.5102.1176.247.40000110E135T133-E135 PolarHBondContact O-N 3.37Å
134T31.8Very low42.9Very low134 Ų134123.9 Ų123.982%0.82268%0.676SS**  trans-60.6107.3173.345.90000110.2D132 V136D132-T134 PolarHBondContact O-N 3.42Å; D132-T134 VanDerWaalsContact O-N 3.07Å; T134-V136 PolarHBondContact O-N 3.49Å
135E30.7Very low42Very low123 Ų123120.1 Ų120.158%0.57566%0.661SS**  trans-70.5130.9-176.8-50.7-164.7132.800110.7T133 K138T133-E135 PolarHBondContact O-N 3.37Å; E135-K138 VanDerWaalsContact CD-CE 3.42Å; E135-K138 WeakPolarHBondContact OE1-CE 3.36Å; E135-K138 IonicContact OE1-NZ 2.62Å; E135-K138 PolarHBondContact OE1-NZ 2.97Å; E135-K138 WeakPolarHBondContact OE2-CD 3.49Å; E135-K138 WeakPolarHBondContact OE2-CE 3.18Å; E135-K138 IonicContact OE2-NZ 2.88Å; E135-K138 PolarHBondContact OE2-NZ 3.06Å
136V29.5Very low41.6Very low123 Ų123118.3 Ų118.375%0.74566%0.656SS**  trans-57.1138.1163.4178.90000107.8T134 K138T134-V136 PolarHBondContact O-N 3.49Å; V136-K138 PolarHBondContact O-N 3.32Å
137P28.7Very low41.7Very low114 Ų114116.8 Ų116.874%0.7465%0.648SS**  trans-52.4110.8-172.6-30.736.6000113.9D139P137-D139 PolarHBondContact O-N 3.27Å
138K35.6Very low42.3Very low89 Ų89116.5 Ų116.539%0.38764%0.639SS.*THydrogen-bonded Turntrans-74.754.8-174.2-73.6179.9173.8157.50114.4E135 V136E135-K138 VanDerWaalsContact CD-CE 3.42Å; E135-K138 WeakPolarHBondContact OE1-CE 3.36Å; E135-K138 IonicContact OE1-NZ 2.62Å; E135-K138 PolarHBondContact OE1-NZ 2.97Å; E135-K138 WeakPolarHBondContact OE2-CD 3.49Å; E135-K138 WeakPolarHBondContact OE2-CE 3.18Å; E135-K138 IonicContact OE2-NZ 2.88Å; E135-K138 PolarHBondContact OE2-NZ 3.06Å; V136-K138 PolarHBondContact O-N 3.32Å
139D31.4Very low43.5Very low166 Ų166112 Ų11289%0.88862%0.62SS**THydrogen-bonded Turntrans-130.57.7171.1-105.8-35.1000113.9P137P137-D139 PolarHBondContact O-N 3.27Å
140S33.8Very low45.1Very low102 Ų102105.9 Ų105.971%0.71359%0.59SS**  trans-128.728.1173710000114.3K142S140-K142 PolarHBondContact O-N 2.67Å
141D39.8Very low47.1Very low146 Ų146103.7 Ų103.778%0.78157%0.569SS**  trans-77.364177.3-100.7-24.6000113
142K42.7Very low49.2Very low168 Ų16898 Ų9873%0.7354%0.54SS*.SBendtrans-126.9120.3156.6-71.8179.4-1771710107.3S140 E144S140-K142 PolarHBondContact O-N 2.67Å; K142-E144 PolarHBondContact O-N 3.02Å
143P45.4Very low51.5Low77 Ų7791.1 Ų91.150%0.550%0.503SS..  trans-64.3110.6173.426.7-33.1000108.5C145 L323P143-C145 PolarHBondContact O-N 3.44Å; P143-C145 VanDerWaalsContact O-N 3.16Å; P143-L323 HydrophobicContact CB-CD1 4.05Å; P143-L323 HydrophobicContact CG-CD1 3.78Å
144E49.5Very low54.1Low170 Ų17085.8 Ų85.879%0.79447%0.471SS*.  trans-62.7118.2-177.2-71.3-163.2143.500110.2K142 L146K142-E144 PolarHBondContact O-N 3.02Å; E144-L146 PolarHBondContact O-N 3.22Å
145C58Low56.8Low28 Ų2880.4 Ų80.419%0.18944%0.437CS..  trans-76.8105177.9178.80000109.3P143 L147 C150 L323P143-C145 PolarHBondContact O-N 3.44Å; P143-C145 VanDerWaalsContact O-N 3.16Å; C145-L147 PolarHBondContact O-N 2.87Å; C145-C150 HydrophobicContact CB-CB 3.56Å; C145-C150 WeakPolarHBondContact CB-SG 3.39Å; C145-C150 WeakPolarHBondContact SG-CB 3.43Å; C145-C150 CovalentContact SG-SG 2.02Å; C145-C150 PolarHBondContact SG-SG 3.31Å; C145-L323 HydrophobicContact CB-CD2 4.31Å
146L59.6Low59.5Low96 Ų9674.6 Ų74.650%0.50341%0.41SS..  trans-73.530.5-176.4-55177.5000114.4E144 K330E144-L146 PolarHBondContact O-N 3.22Å; L146-K330 PolarHBondContact O-NZ 3.26Å
147L68.7Low62.3Low25 Ų2568.9 Ų68.913%0.13138%0.375CS..SBendtrans-120.5154.2-179.9-63.4-173.7000110.7C145 C150 T230 D232 A235 F320 I326C145-L147 PolarHBondContact O-N 2.87Å; L147-C150 HydrophobicContact CB-CB 4.37Å; L147-C150 WeakPolarHBondContact O-CB 3.5Å; L147-T230 HydrophobicContact CD1-CG2 4.07Å; L147-D232 VanDerWaalsContact CA-OD2 3.27Å; L147-D232 WeakPolarHBondContact CA-OD2 3.46Å; L147-D232 VanDerWaalsContact CB-OD2 3.28Å; L147-D232 WeakPolarHBondContact CB-OD2 3.28Å; L147-D232 WeakPolarHBondContact CD2-OD2 3.5Å; L147-A235 HydrophobicContact CD1-CB 3.84Å; L147-A235 HydrophobicContact CD2-CB 4.02Å; L147-F320 HydrophobicContact CD1-CE1 4.16Å; L147-F320 HydrophobicContact CD1-CZ 4.25Å; L147-I326 HydrophobicContact CD1-CD1 3.81Å; L147-I326 HydrophobicContact CD1-CG1 4.43Å; L147-I326 HydrophobicContact CD1-CG2 4.17Å; L147-I326 HydrophobicContact CD2-CG2 3.95Å; L147-I326 HydrophobicContact CG-CG2 4.03Å
148S70.6Confident65Low42 Ų4263.4 Ų63.429%0.29434%0.34SS..THydrogen-bonded Turntrans-65141.4-177.678.60000112.4C150 T230 T231 D232S148-C150 PolarHBondContact O-N 3.08Å; S148-T230 PolarHBondContact O-OG1 2.8Å; S148-T231 PolarHBondContact O-N 2.87Å; S148-T231 PolarHBondContact OG-OG1 3.32Å; S148-D232 VanDerWaalsContact CB-OD1 3.25Å; S148-D232 WeakPolarHBondContact CB-OD1 3.28Å; S148-D232 PolarHBondContact N-OD2 2.91Å; S148-D232 VanDerWaalsContact OG-CG 3.25Å; S148-D232 PolarHBondContact OG-OD1 3.21Å
149H71.8Confident67.1Low84 Ų8461.3 Ų61.339%0.38933%0.333SS..THydrogen-bonded Turntrans52.129.6174.5-56.5136.1000114.5I151 T231 Y246 I283H149-I151 PolarHBondContact O-N 3.34Å; H149-T231 HydrophobicContact CB-CG2 4.02Å; H149-T231 PolarHBondContact ND1-OG1 2.62Å; H149-Y246 HydrophobicContact CB-CE1 4.34Å; H149-Y246 PolarHBondContact O-OH 3.17Å; H149-I283 HydrophobicContact CB-CD1 3.73Å; H149-I283 VanDerWaalsContact CD2-CD1 3.46Å; H149-I283 WeakPolarHBondContact CD2-CD1 3.49Å
150C79.1Confident69.4Low33 Ų3356.9 Ų56.922%0.22331%0.313CS..  trans-77.8124.9-170.1-1670000112.2C145 L147 S148 L229C145-C150 HydrophobicContact CB-CB 3.56Å; C145-C150 WeakPolarHBondContact CB-SG 3.39Å; C145-C150 WeakPolarHBondContact SG-CB 3.43Å; C145-C150 CovalentContact SG-SG 2.02Å; C145-C150 PolarHBondContact SG-SG 3.31Å; L147-C150 HydrophobicContact CB-CB 4.37Å; L147-C150 WeakPolarHBondContact O-CB 3.5Å; S148-C150 PolarHBondContact O-N 3.08Å; C150-L229 CarbonylContact C-O 3.45Å; C150-L229 VanDerWaalsContact CA-O 3.24Å; C150-L229 WeakPolarHBondContact CA-O 3.44Å
151I80.9Confident71.7Confident15 Ų1553.3 Ų53.38%0.07729%0.29CS..EExtended strand (participates in β ladder)trans-128.7151.6-178.564-175.9000110.4H149 Y228 L229 Y246 Y278 L285H149-I151 PolarHBondContact O-N 3.34Å; I151-Y228 CarbonylContact O-C 3.2Å; I151-Y228 VanDerWaalsContact O-CA 3.27Å; I151-Y228 WeakPolarHBondContact O-CA 3.46Å; I151-L229 HydrophobicContact CD1-CB 4.35Å; I151-L229 HydrophobicContact CG1-CB 3.9Å; I151-L229 PolarHBondContact N-O 2.9Å; I151-L229 PolarHBondContact O-N 3Å; I151-Y246 HydrophobicContact CD1-CE1 3.94Å; I151-Y246 WeakPolarHBondContact CG1-OH 3.5Å; I151-Y278 HydrophobicContact CB-CD1 4.17Å; I151-Y278 HydrophobicContact CB-CE1 3.99Å; I151-Y278 HydrophobicContact CD1-CD1 4.49Å; I151-Y278 HydrophobicContact CD1-CD2 4.11Å; I151-Y278 HydrophobicContact CD1-CE1 4.15Å; I151-Y278 HydrophobicContact CD1-CE2 3.75Å; I151-Y278 HydrophobicContact CD1-CG 4.48Å; I151-Y278 HydrophobicContact CG2-CD1 3.85Å; I151-Y278 HydrophobicContact CG2-CE1 4.2Å; I151-Y278 HydrophobicContact CG2-CG 4.15Å; I151-L285 HydrophobicContact CD1-CD2 4.26Å
152V81.5Confident73.8Confident50 Ų5046.9 Ų46.930%0.30326%0.255SS..EExtended strand (participates in β ladder)trans-73.1135167.4-168.60000108.2Y228V152-Y228 HydrophobicContact CG2-CD1 4.22Å; V152-Y228 HydrophobicContact CG2-CE1 3.89Å
153A81.9Confident75.5Confident1 Ų143 Ų431%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-97.8149.5177.700000111.1M155 Q205 C227 L229A153-M155 HydrophobicContact CB-CB 4.38Å; A153-M155 HydrophobicContact CB-CG 4.2Å; A153-M155 HydrophobicContact CB-SD 4.46Å; A153-M155 PolarHBondContact O-N 2.93Å; A153-Q205 PolarHBondContact O-OE1 2.82Å; A153-Q205 VanDerWaalsContact O-OE1 3.09Å; A153-C227 HydrophobicContact CB-CB 4.17Å; A153-C227 PolarHBondContact N-O 3.45Å; A153-L229 HydrophobicContact CB-CD1 3.79Å; A153-L229 HydrophobicContact CB-CG 3.96Å
154P85.6Confident76.5Confident16 Ų1643.2 Ų43.210%0.10426%0.256CS..EExtended strand (participates in β ladder)trans-7554.2174.632.9-37.4000111.3F202 Q205P154-F202 PolarHBondContact O-N 2.89Å; P154-Q205 VanDerWaalsContact N-OE1 3.16Å
155M88.3Confident77.6Confident20 Ų2042.3 Ų42.310%0.09926%0.256CS..EExtended strand (participates in β ladder)trans-146.6145.1-171.8-53-177.8-177.500110.7A153 V199 V200 V201 C227 L244 L319A153-M155 HydrophobicContact CB-CB 4.38Å; A153-M155 HydrophobicContact CB-CG 4.2Å; A153-M155 HydrophobicContact CB-SD 4.46Å; A153-M155 PolarHBondContact O-N 2.93Å; M155-V199 HydrophobicContact CB-CG1 3.9Å; M155-V199 HydrophobicContact SD-CG1 4.3Å; M155-V200 CarbonylContact C-O 3.37Å; M155-V200 VanDerWaalsContact CA-O 3.23Å; M155-V200 WeakPolarHBondContact CA-O 3.37Å; M155-V201 HydrophobicContact CE-CG1 4.1Å; M155-V201 HydrophobicContact CE-CG2 4.11Å; M155-V201 HydrophobicContact CG-CB 4.33Å; M155-V201 HydrophobicContact CG-CG1 4.13Å; M155-V201 HydrophobicContact CG-CG2 4.05Å; M155-V201 HydrophobicContact SD-CG2 4.11Å; M155-C227 HydrophobicContact CB-CB 3.83Å; M155-C227 VanDerWaalsContact O-CB 3.31Å; M155-C227 WeakPolarHBondContact O-CB 3.16Å; M155-C227 PolarHBondContact O-N 2.83Å; M155-L244 HydrophobicContact CE-CD1 4Å; M155-L319 HydrophobicContact SD-CD1 4.38Å; M155-L319 HydrophobicContact SD-CD2 4.04Å
156L87.9Confident78.6Confident2 Ų243.1 Ų43.11%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-124.8134.2175.1-57.7178.4000110.5V199 V200 F202 A211 Y212 L215 V224 S225 R226L156-V199 CarbonylContact O-C 3.59Å; L156-V199 VanDerWaalsContact O-CA 3.31Å; L156-V199 WeakPolarHBondContact O-CA 3.32Å; L156-V200 PolarHBondContact N-O 3.31Å; L156-V200 PolarHBondContact O-N 2.84Å; L156-F202 HydrophobicContact CB-CE2 4.2Å; L156-F202 HydrophobicContact CD1-CE2 3.77Å; L156-F202 HydrophobicContact CD1-CZ 4Å; L156-F202 HydrophobicContact CG-CD2 4.49Å; L156-F202 HydrophobicContact CG-CE2 3.77Å; L156-F202 HydrophobicContact CG-CZ 4.5Å; L156-A211 HydrophobicContact CD1-CB 4.03Å; L156-Y212 HydrophobicContact CD2-CD2 4.02Å; L156-Y212 HydrophobicContact CD2-CG 4.25Å; L156-L215 HydrophobicContact CD1-CD1 4.28Å; L156-V224 HydrophobicContact CB-CG1 4.15Å; L156-V224 HydrophobicContact CD1-CG1 4.15Å; L156-S225 WeakPolarHBondContact CA-O 3.31Å; L156-R226 HydrophobicContact CD2-CG 4.41Å
157A87.5Confident79.4Confident2 Ų242 Ų422%0.01726%0.256CS..EExtended strand (participates in β ladder)trans-93.3132.1174.200000111.1V197 V199 V224 S225 W321A157-V197 HydrophobicContact CB-CG1 3.97Å; A157-V199 HydrophobicContact CB-CG2 4.03Å; A157-V224 WeakPolarHBondContact O-CA 3.25Å; A157-S225 PolarHBondContact N-O 2.87Å; A157-S225 PolarHBondContact O-N 2.94Å; A157-W321 HydrophobicContact CB-CB 4.15Å; A157-W321 HydrophobicContact CB-CD2 3.62Å; A157-W321 HydrophobicContact CB-CE3 4.14Å; A157-W321 HydrophobicContact CB-CG 3.61Å
158L86.1Confident79.9Confident0 Ų044.4 Ų44.40%027%0.268CS..EExtended strand (participates in β ladder)trans-115.9124.6-179.7-47.3178.8000110.1P160 L162 F178 V197 S198 V200 F222 S223 V224L158-P160 CarbonylContact O-C 3.48Å; L158-L162 HydrophobicContact CD1-CD1 3.88Å; L158-L162 HydrophobicContact CD1-CD2 4.47Å; L158-L162 HydrophobicContact CD1-CG 4.09Å; L158-F178 HydrophobicContact CD1-CE1 3.99Å; L158-F178 HydrophobicContact CD1-CE2 4.39Å; L158-F178 HydrophobicContact CD1-CZ 3.57Å; L158-F178 HydrophobicContact CD2-CE1 4.3Å; L158-F178 HydrophobicContact CD2-CZ 3.99Å; L158-F178 HydrophobicContact CG-CZ 4.44Å; L158-V197 WeakPolarHBondContact O-CG1 3.48Å; L158-S198 WeakPolarHBondContact CB-O 3.39Å; L158-S198 PolarHBondContact N-O 3.32Å; L158-S198 PolarHBondContact O-N 3.09Å; L158-V200 HydrophobicContact CD1-CG2 3.75Å; L158-V200 HydrophobicContact CG-CG2 4.33Å; L158-F222 HydrophobicContact CB-CD2 4.09Å; L158-F222 HydrophobicContact CD1-CE2 4.26Å; L158-F222 HydrophobicContact CD2-CD2 3.98Å; L158-F222 HydrophobicContact CD2-CE2 3.9Å; L158-F222 HydrophobicContact CG-CD2 4.43Å; L158-F222 HydrophobicContact CG-CE2 4.49Å; L158-S223 WeakPolarHBondContact CA-O 3.4Å; L158-V224 HydrophobicContact CD2-CB 4.31Å; L158-V224 HydrophobicContact CD2-CG1 3.94Å; L158-V224 HydrophobicContact CD2-CG2 3.83Å
159D80.1Confident80.3Confident45 Ų4551.6 Ų51.624%0.24129%0.294CS..EExtended strand (participates in β ladder)trans-134.7119.2-171.5-176.747.3000111.5K189 V197 F222 S223D159-K189 WeakPolarHBondContact OD1-CE 3.48Å; D159-K189 IonicContact OD1-NZ 2.77Å; D159-K189 PolarHBondContact OD1-NZ 3.15Å; D159-K189 IonicContact OD2-NZ 2.8Å; D159-K189 PolarHBondContact OD2-NZ 2.85Å; D159-V197 HydrophobicContact CB-CG2 4.34Å; D159-F222 CarbonylContact O-C 3.55Å; D159-F222 VanDerWaalsContact O-CA 3.28Å; D159-F222 WeakPolarHBondContact O-CA 3.17Å; D159-S223 PolarHBondContact N-O 3.13Å; D159-S223 VanDerWaalsContact N-O 3.14Å; D159-S223 PolarHBondContact O-N 3.39Å; D159-S223 PolarHBondContact O-OG 3.21Å
160P79Confident80.8Confident72 Ų7252 Ų5247%0.46830%0.297SS..SBendcis-69.1164.2-0.531.5-37.3000113.2L158L158-P160 CarbonylContact O-C 3.48Å
161A82.6Confident80.9Confident27 Ų2750.5 Ų50.522%0.22329%0.286CS..PPolyproline II helixtrans-54.4149.3174.500000113.9S196 S198A161-S196 VanDerWaalsContact CB-C 3.46Å; A161-S196 WeakPolarHBondContact CB-O 3.3Å; A161-S196 PolarHBondContact N-O 3.5Å; A161-S198 WeakPolarHBondContact CA-OG 3.26Å; A161-S198 WeakPolarHBondContact CB-OG 2.99Å
162L83.2Confident81Confident11 Ų1152.3 Ų52.36%0.05830%0.299CS..PPolyproline II helixtrans-65.1149.4166.3-59.2179000110.4L158 A164 L166 L171 V174 S198 F222L158-L162 HydrophobicContact CD1-CD1 3.88Å; L158-L162 HydrophobicContact CD1-CD2 4.47Å; L158-L162 HydrophobicContact CD1-CG 4.09Å; L162-A164 PolarHBondContact O-N 2.98Å; L162-L166 HydrophobicContact CB-CD1 4.08Å; L162-L171 HydrophobicContact CD1-CD2 3.71Å; L162-V174 HydrophobicContact CD2-CG1 4.1Å; L162-S198 PolarHBondContact N-OG 3.07Å; L162-F222 HydrophobicContact CD2-CD1 4.02Å; L162-F222 HydrophobicContact CD2-CE1 3.8Å; L162-F222 HydrophobicContact CD2-CZ 4.43Å
163P79.2Confident80.9Confident88 Ų8854.4 Ų54.457%0.57132%0.322SS*.PPolyproline II helixtrans-50.3132.3174.8-29.233.7000113N165 L166P163-N165 PolarHBondContact O-N 2.79Å; P163-L166 HydrophobicContact CB-CD1 4.29Å; P163-L166 HydrophobicContact CG-CD1 4.28Å; P163-L166 PolarHBondContact O-N 2.85Å; P163-L166 VanDerWaalsContact O-N 3.1Å
164A65.1Low80.8Confident81 Ų8156.7 Ų56.767%0.66934%0.335SS*.THydrogen-bonded Turntrans-63.3-4.1-176.800000115.1L162 I186L162-A164 PolarHBondContact O-N 2.98Å; A164-I186 HydrophobicContact CB-CD1 4.06Å
165N72.4Confident80.6Confident150 Ų15056.3 Ų56.380%0.80233%0.333SS*.THydrogen-bonded Turntrans-89.5-11.8178.8-5711.7000112.7P163P163-N165 PolarHBondContact O-N 2.79Å
166L78.9Confident80.3Confident46 Ų4658.7 Ų58.724%0.24136%0.356CS..  trans-76.2124.5-178.6-88.9150.3000111.7L162 P163 E170 V174L162-L166 HydrophobicContact CB-CD1 4.08Å; P163-L166 HydrophobicContact CB-CD1 4.29Å; P163-L166 HydrophobicContact CG-CD1 4.28Å; P163-L166 PolarHBondContact O-N 2.85Å; P163-L166 VanDerWaalsContact O-N 3.1Å; L166-E170 HydrophobicContact CD2-CB 3.72Å; L166-V174 HydrophobicContact CD1-CG2 4.05Å; L166-V174 HydrophobicContact CD2-CG2 3.81Å
167T77.6Confident80.1Confident73 Ų7359.4 Ų59.445%0.44836%0.361SS..  trans-90.2164169.975.30000111.9K169 E170 L171T167-K169 PolarHBondContact O-N 2.92Å; T167-K169 VanDerWaalsContact O-N 3.09Å; T167-E170 WeakPolarHBondContact CA-OE2 3.49Å; T167-E170 VanDerWaalsContact CB-OE2 3.25Å; T167-E170 WeakPolarHBondContact CB-OE2 3.48Å; T167-E170 WeakPolarHBondContact CG2-OE2 3.43Å; T167-E170 PolarHBondContact N-OE2 2.03Å; T167-E170 PolarHBondContact O-N 3.04Å; T167-E170 PolarHBondContact OG1-OE2 3.15Å; T167-L171 PolarHBondContact O-N 2.86Å
168L79.5Confident80Confident75 Ų7559.4 Ų59.439%0.39336%0.36SS..THydrogen-bonded Turntrans-62.1-19.6-179.5-169.7137.7000113.8E170 L171 K182L168-E170 VanDerWaalsContact C-N 3.31Å; L168-L171 HydrophobicContact CG-CD1 4.49Å; L168-K182 WeakPolarHBondContact CD1-O 3.39Å
169K78.9Confident79.8Confident193 Ų19363.9 Ų63.984%0.83939%0.392SS*.THydrogen-bonded Turntrans-76.8-17.7173.9-65.7-175.9177.9-178.40113.5T167T167-K169 PolarHBondContact O-N 2.92Å; T167-K169 VanDerWaalsContact O-N 3.09Å
170E80.8Confident80Confident93 Ų9363.2 Ų63.244%0.43539%0.393SS..THydrogen-bonded Turntrans-106-15.5-175.3-63.9154.8135.800112L166 T167 L168 P172 A173L166-E170 HydrophobicContact CD2-CB 3.72Å; T167-E170 WeakPolarHBondContact CA-OE2 3.49Å; T167-E170 VanDerWaalsContact CB-OE2 3.25Å; T167-E170 WeakPolarHBondContact CB-OE2 3.48Å; T167-E170 WeakPolarHBondContact CG2-OE2 3.43Å; T167-E170 PolarHBondContact N-OE2 2.03Å; T167-E170 PolarHBondContact O-N 3.04Å; T167-E170 PolarHBondContact OG1-OE2 3.15Å; L168-E170 VanDerWaalsContact C-N 3.31Å; E170-P172 VanDerWaalsContact C-CD 3.43Å; E170-P172 VanDerWaalsContact C-N 3.32Å; E170-A173 WeakPolarHBondContact O-CA 3.29Å; E170-A173 WeakPolarHBondContact O-CB 3.46Å; E170-A173 PolarHBondContact O-N 3.08Å
171L81.9Confident80.3Confident0 Ų060.2 Ų60.20%037%0.374CS..G310 helixtrans-47-43.4169.2-106.8168.4000114.1L162 T167 L168 A173 V174 S175 F178 A181 L184 V200L162-L171 HydrophobicContact CD1-CD2 3.71Å; T167-L171 PolarHBondContact O-N 2.86Å; L168-L171 HydrophobicContact CG-CD1 4.49Å; L171-A173 PolarHBondContact O-N 3.43Å; L171-V174 WeakPolarHBondContact O-CB 3.37Å; L171-V174 PolarHBondContact O-N 3.19Å; L171-S175 PolarHBondContact O-N 3.1Å; L171-F178 HydrophobicContact CB-CB 4.2Å; L171-F178 HydrophobicContact CD2-CB 3.92Å; L171-F178 HydrophobicContact CD2-CD1 4.29Å; L171-F178 HydrophobicContact CD2-CD2 3.82Å; L171-F178 HydrophobicContact CD2-CE2 4.4Å; L171-F178 HydrophobicContact CD2-CG 3.76Å; L171-A181 HydrophobicContact CD1-CB 4.36Å; L171-L184 HydrophobicContact CD1-CB 3.98Å; L171-L184 HydrophobicContact CD1-CD1 4.32Å; L171-L184 HydrophobicContact CD1-CD2 4.04Å; L171-L184 HydrophobicContact CD1-CG 4.33Å; L171-L184 HydrophobicContact CG-CD2 4.43Å; L171-V200 HydrophobicContact CD2-CG2 4.47Å
172P83.4Confident80.4Confident53 Ų5362.2 Ų62.234%0.34438%0.378SS..G310 helixtrans-65.8-17.2177-22.635.3000114.6E170 S175E170-P172 VanDerWaalsContact C-CD 3.43Å; E170-P172 VanDerWaalsContact C-N 3.32Å; P172-S175 WeakPolarHBondContact CA-O 3.01Å; P172-S175 CarbonylContact O-C 3.59Å
173A79.4Confident80.4Confident95 Ų9565.7 Ų65.779%0.78539%0.393SS*.G310 helixtrans-85.3-8171.900000113.1E170 L171E170-A173 WeakPolarHBondContact O-CA 3.29Å; E170-A173 WeakPolarHBondContact O-CB 3.46Å; E170-A173 PolarHBondContact O-N 3.08Å; L171-A173 PolarHBondContact O-N 3.43Å
174V79.1Confident80.7Confident49 Ų4963.3 Ų63.330%0.29738%0.376SS..THydrogen-bonded Turntrans-85.6-44.7169.3-175.40000110.4L162 L166 L171 F222L162-V174 HydrophobicContact CD2-CG1 4.1Å; L166-V174 HydrophobicContact CD1-CG2 4.05Å; L166-V174 HydrophobicContact CD2-CG2 3.81Å; L171-V174 WeakPolarHBondContact O-CB 3.37Å; L171-V174 PolarHBondContact O-N 3.19Å; V174-F222 HydrophobicContact CG1-CE1 4.09Å; V174-F222 HydrophobicContact CG1-CZ 4.31Å
175S81.3Confident81.6Confident7 Ų762.1 Ų62.15%0.04936%0.358CS..  trans-156.6142.7162.1169.30000109.4L171 P172 S177 F178 L215 E218L171-S175 PolarHBondContact O-N 3.1Å; P172-S175 WeakPolarHBondContact CA-O 3.01Å; P172-S175 CarbonylContact O-C 3.59Å; S175-S177 PolarHBondContact O-N 3.44Å; S175-S177 VanDerWaalsContact O-N 3.11Å; S175-S177 PolarHBondContact OG-N 2.92Å; S175-S177 PolarHBondContact OG-OG 3.31Å; S175-F178 PolarHBondContact O-N 3.35Å; S175-L215 WeakPolarHBondContact OG-CD2 3.16Å; S175-E218 WeakPolarHBondContact CB-OE2 3.39Å; S175-E218 PolarHBondContact OG-OE2 3.31Å
176A81.8Confident82.1Confident70 Ų7058.9 Ų58.958%0.57934%0.34SS*.G310 helixtrans-59.4-23.8178.200000112.7F178 S179A176-F178 PolarHBondContact O-N 2.86Å; A176-S179 VanDerWaalsContact O-CB 3.24Å; A176-S179 WeakPolarHBondContact O-CB 3.17Å; A176-S179 PolarHBondContact O-N 3.11Å; A176-S179 VanDerWaalsContact O-N 3.08Å; A176-S179 PolarHBondContact O-OG 2.68Å
177S83.4Confident82.1Confident17 Ų1758.2 Ų58.212%0.11934%0.336CS..G310 helixtrans-60.6-22.3175.4-58.50000113.7S175 S179 D214S175-S177 PolarHBondContact O-N 3.44Å; S175-S177 VanDerWaalsContact O-N 3.11Å; S175-S177 PolarHBondContact OG-N 2.92Å; S175-S177 PolarHBondContact OG-OG 3.31Å; S177-S179 VanDerWaalsContact C-N 3.31Å; S177-D214 WeakPolarHBondContact OG-CB 3.03Å
178F86.4Confident82Confident2 Ų261.9 Ų61.91%0.00935%0.345CS..G310 helixtrans-85.13.6175.8-61.1-58.5000114.3L158 L171 S175 A176 A180 A181 V200 F202 L215 F222L158-F178 HydrophobicContact CD1-CE1 3.99Å; L158-F178 HydrophobicContact CD1-CE2 4.39Å; L158-F178 HydrophobicContact CD1-CZ 3.57Å; L158-F178 HydrophobicContact CD2-CE1 4.3Å; L158-F178 HydrophobicContact CD2-CZ 3.99Å; L158-F178 HydrophobicContact CG-CZ 4.44Å; L171-F178 HydrophobicContact CB-CB 4.2Å; L171-F178 HydrophobicContact CD2-CB 3.92Å; L171-F178 HydrophobicContact CD2-CD1 4.29Å; L171-F178 HydrophobicContact CD2-CD2 3.82Å; L171-F178 HydrophobicContact CD2-CE2 4.4Å; L171-F178 HydrophobicContact CD2-CG 3.76Å; S175-F178 PolarHBondContact O-N 3.35Å; A176-F178 PolarHBondContact O-N 2.86Å; F178-A180 PolarHBondContact O-N 2.78Å; F178-A180 VanDerWaalsContact O-N 3.16Å; F178-A181 WeakPolarHBondContact O-CB 3.29Å; F178-A181 PolarHBondContact O-N 3.07Å; F178-V200 HydrophobicContact CD1-CB 4.44Å; F178-V200 HydrophobicContact CD1-CG1 4.06Å; F178-V200 HydrophobicContact CD1-CG2 4.09Å; F178-V200 HydrophobicContact CE1-CB 4.41Å; F178-V200 HydrophobicContact CE1-CG2 3.88Å; F178-F202 HydrophobicContact CD1-CZ 4.17Å; F178-L215 HydrophobicContact CD1-CD1 4.25Å; F178-L215 HydrophobicContact CE1-CD1 3.44Å; F178-L215 VanDerWaalsContact CE1-CD1 3.44Å; F178-L215 HydrophobicContact CE1-CD2 4.45Å; F178-L215 HydrophobicContact CE2-CD1 4.32Å; F178-L215 HydrophobicContact CE2-CD2 3.85Å; F178-L215 HydrophobicContact CZ-CD1 3.48Å; F178-L215 VanDerWaalsContact CZ-CD1 3.48Å; F178-L215 HydrophobicContact CZ-CD2 3.79Å; F178-L215 HydrophobicContact CZ-CG 4.31Å; F178-F222 HydrophobicContact CE2-CZ 4.18Å; F178-F222 HydrophobicContact CZ-CE2 4.29Å; F178-F222 HydrophobicContact CZ-CZ 4.35Å
179S82.6Confident81.5Confident95 Ų9560.8 Ų60.866%0.66434%0.338SS*.G310 helixtrans-58.5-24.7178.450.80000114.9A176 S177A176-S179 VanDerWaalsContact O-CB 3.24Å; A176-S179 WeakPolarHBondContact O-CB 3.17Å; A176-S179 PolarHBondContact O-N 3.11Å; A176-S179 VanDerWaalsContact O-N 3.08Å; A176-S179 PolarHBondContact O-OG 2.68Å; S177-S179 VanDerWaalsContact C-N 3.31Å
180A84.2Confident80.5Confident31 Ų3154.9 Ų54.926%0.25632%0.319SS..G310 helixtrans-92.86.3176.500000114.5F178 F202 H203 D207F178-A180 PolarHBondContact O-N 2.78Å; F178-A180 VanDerWaalsContact O-N 3.16Å; A180-F202 HydrophobicContact CB-CD1 4.26Å; A180-H203 PolarHBondContact O-ND1 3.04Å; A180-D207 HydrophobicContact CB-CB 4.18Å
181A84.6Confident79.3Confident9 Ų952.6 Ų52.67%0.07431%0.307CS..EExtended strand (participates in β ladder)trans-64.5134.8-177.900000112.4L171 F178 V200L171-A181 HydrophobicContact CD1-CB 4.36Å; F178-A181 WeakPolarHBondContact O-CB 3.29Å; F178-A181 PolarHBondContact O-N 3.07Å; A181-V200 HydrophobicContact CB-CG1 3.56Å
182K83.9Confident77.8Confident68 Ų6855.8 Ų55.830%0.29632%0.322SS..EExtended strand (participates in β ladder)trans-94.9-38.9178.2-175.2178.9-179.1-1780112.2L168 V201L168-K182 WeakPolarHBondContact CD1-O 3.39Å; K182-V201 WeakPolarHBondContact CB-O 3.4Å; K182-V201 PolarHBondContact N-O 2.62Å
183E84.1Confident76.5Confident84 Ų8459.8 Ų59.839%0.39334%0.34SS..EExtended strand (participates in β ladder)trans-154.5150-174.6-164.5169.6-169.300110.6L185 V201E183-L185 HydrophobicContact CG-CD2 4.01Å; E183-L185 HydrophobicContact CG-CG 4.3Å; E183-V201 HydrophobicContact CB-CB 3.99Å; E183-V201 HydrophobicContact CB-CG2 4.14Å; E183-V201 PolarHBondContact N-O 2.64Å; E183-V201 PolarHBondContact O-N 2.88Å
184L85.3Confident75.3Confident39 Ų3960.1 Ų60.120%0.20433%0.334CS..EExtended strand (participates in β ladder)trans-120.8115.8174.2176.463.9000109L171 V200L171-L184 HydrophobicContact CD1-CB 3.98Å; L171-L184 HydrophobicContact CD1-CD1 4.32Å; L171-L184 HydrophobicContact CD1-CD2 4.04Å; L171-L184 HydrophobicContact CD1-CG 4.33Å; L171-L184 HydrophobicContact CG-CD2 4.43Å; L184-V200 HydrophobicContact CD1-CG2 4Å
185L84Confident74.9Confident55 Ų5560.9 Ų60.929%0.28834%0.339SS..EExtended strand (participates in β ladder)trans-110.5122.2-178.2-61.1176.3000109.8E183 V199 V201E183-L185 HydrophobicContact CG-CD2 4.01Å; E183-L185 HydrophobicContact CG-CG 4.3Å; L185-V199 HydrophobicContact CB-CB 4.48Å; L185-V199 PolarHBondContact N-O 2.7Å; L185-V199 PolarHBondContact O-N 2.77Å; L185-V201 HydrophobicContact CD1-CG2 3.95Å; L185-V201 HydrophobicContact CG-CG2 4.36Å
186I83.1Confident74.9Confident83 Ų8362.7 Ų62.743%0.42635%0.352SS..EExtended strand (participates in β ladder)trans-93112.7171.7-57.4179.5000108A164A164-I186 HydrophobicContact CB-CD1 4.06Å
187M78.9Confident75Confident31 Ų3159.4 Ų59.415%0.15332%0.324CS..EExtended strand (participates in β ladder)trans-115.7159.2-179.8-64.1-157.4-7000111.1S196 V197 V199 I239 L319 W321M187-S196 CarbonylContact O-C 3.35Å; M187-S196 VanDerWaalsContact O-CA 3.3Å; M187-S196 WeakPolarHBondContact O-CA 3.16Å; M187-V197 PolarHBondContact N-O 2.79Å; M187-V197 PolarHBondContact O-N 3.46Å; M187-V199 HydrophobicContact CE-CB 4.05Å; M187-V199 HydrophobicContact CE-CG2 3.44Å; M187-V199 VanDerWaalsContact CE-CG2 3.44Å; M187-I239 HydrophobicContact CB-CD1 4.35Å; M187-I239 HydrophobicContact CE-CD1 4.17Å; M187-I239 HydrophobicContact SD-CD1 4.2Å; M187-I239 HydrophobicContact SD-CG2 3.96Å; M187-L319 HydrophobicContact CE-CD2 3.63Å; M187-L319 HydrophobicContact CE-CG 4.43Å; M187-W321 HydrophobicContact CE-CH2 4.06Å; M187-W321 HydrophobicContact CE-CZ3 3.72Å
188K75.8Confident75.2Confident150 Ų15058.6 Ų58.665%0.65232%0.318SS*.EExtended strand (participates in β ladder)trans-100.3136.9174.4-61.1-177.2-177.4-178.90109P190K188-P190 WeakPolarHBondContact O-CD 3.02Å
189K69.3Low75.3Confident53 Ų5358.5 Ų58.523%0.2332%0.318CS..  trans-60.3123168.4-84.2167.3168.1168.50108.9D159 F191 H192 V195 V197 W321D159-K189 WeakPolarHBondContact OD1-CE 3.48Å; D159-K189 IonicContact OD1-NZ 2.77Å; D159-K189 PolarHBondContact OD1-NZ 3.15Å; D159-K189 IonicContact OD2-NZ 2.8Å; D159-K189 PolarHBondContact OD2-NZ 2.85Å; K189-F191 PolarHBondContact O-N 3.15Å; K189-H192 HydrophobicContact CB-CB 4.45Å; K189-V195 PolarHBondContact N-O 3.2Å; K189-V197 HydrophobicContact CD-CG2 3.96Å; K189-V197 HydrophobicContact CG-CG2 3.78Å; K189-W321 HydrophobicContact CG-CZ2 4.49Å
190P57.4Low75.6Confident68 Ų6854 Ų5444%0.44229%0.286SS..THydrogen-bonded Turntrans-69.6-20.3-177.525.1-33.3000113.2K188 I239K188-P190 WeakPolarHBondContact O-CD 3.02Å; P190-I239 HydrophobicContact CG-CG1 4.04Å
191F55.3Low75.7Confident45 Ų4552.9 Ų52.920%0.19728%0.277CS..THydrogen-bonded Turntrans-121.734-166.3-93.6-96.1000112.1K189 P236 R830 P831 K832K189-F191 PolarHBondContact O-N 3.15Å; F191-P236 HydrophobicContact CE1-CB 4Å; F191-P236 HydrophobicContact CE2-CB 4.21Å; F191-P236 HydrophobicContact CZ-CB 3.79Å; F191-R830 WeakPolarHBondContact CD1-O 3.43Å; F191-R830 WeakPolarHBondContact CE1-O 3.42Å; F191-P831 CarbonylContact O-C 3.55Å; F191-P831 WeakPolarHBondContact O-CA 3.33Å; F191-P831 WeakPolarHBondContact O-CB 3.38Å; F191-K832 HydrophobicContact CB-CB 4.14Å; F191-K832 HydrophobicContact CD1-CB 3.86Å; F191-K832 HydrophobicContact CD1-CG 3.94Å; F191-K832 HydrophobicContact CE1-CG 4.34Å; F191-K832 HydrophobicContact CG-CB 4.27Å; F191-K832 PolarHBondContact O-N 3.22Å
192H50.8Low75.8Confident68 Ų6852.6 Ų52.632%0.31527%0.274SS..SBendtrans-153.2176.5174.2-112-61000115.2K189 K832 T833K189-H192 HydrophobicContact CB-CB 4.45Å; H192-K832 PolarHBondContact CD2-O 3Å; H192-T833 PolarHBondContact CE1-OG1 3.48Å; H192-T833 VanDerWaalsContact NE2-CA 3.33Å; H192-T833 WeakPolarHBondContact NE2-CA 3.48Å; H192-T833 VanDerWaalsContact NE2-CB 3.28Å; H192-T833 WeakPolarHBondContact NE2-CB 3.49Å; H192-T833 VanDerWaalsContact NE2-CG2 3.32Å; H192-T833 WeakPolarHBondContact NE2-CG2 3.34Å; H192-T833 PolarHBondContact NE2-N 2.87Å; H192-T833 PolarHBondContact NE2-OG1 3.01Å
193L55Low75.6Confident136 Ų13655.2 Ų55.271%0.71229%0.287SS*.SBendtrans-44.4141.6155.8-87.9158.5000108.9V195L193-V195 PolarHBondContact O-N 2.84Å
194P55.6Low75.4Confident103 Ų10353.1 Ų53.167%0.66928%0.282SS*.SBendtrans-75.962.2-16031.2-37.9000114.1
195V70.4Confident75.1Confident65 Ų6553.3 Ų53.339%0.39428%0.281SS..  trans-78.3122.8171.6179.30000108.1K189 L193K189-V195 PolarHBondContact N-O 3.2Å; L193-V195 PolarHBondContact O-N 2.84Å
196S80.5Confident75Confident45 Ų4554 Ų5432%0.31530%0.295SS..EExtended strand (participates in β ladder)trans-70.7145.5170.1-61.60000110.7A161 M187A161-S196 VanDerWaalsContact CB-C 3.46Å; A161-S196 WeakPolarHBondContact CB-O 3.3Å; A161-S196 PolarHBondContact N-O 3.5Å; M187-S196 CarbonylContact O-C 3.35Å; M187-S196 VanDerWaalsContact O-CA 3.3Å; M187-S196 WeakPolarHBondContact O-CA 3.16Å
197V85.1Confident75.1Confident0 Ų052.6 Ų52.60%029%0.289CS..EExtended strand (participates in β ladder)trans-118.3139.7169.9167.70000107.8A157 L158 D159 M187 K189 V199 W321A157-V197 HydrophobicContact CB-CG1 3.97Å; L158-V197 WeakPolarHBondContact O-CG1 3.48Å; D159-V197 HydrophobicContact CB-CG2 4.34Å; M187-V197 PolarHBondContact N-O 2.79Å; M187-V197 PolarHBondContact O-N 3.46Å; K189-V197 HydrophobicContact CD-CG2 3.96Å; K189-V197 HydrophobicContact CG-CG2 3.78Å; V197-V199 HydrophobicContact CG1-CG2 4.23Å; V197-W321 HydrophobicContact CB-CZ2 4.07Å; V197-W321 HydrophobicContact CG1-CH2 4.24Å; V197-W321 HydrophobicContact CG1-CZ2 3.72Å; V197-W321 HydrophobicContact CG2-CZ2 4.09Å
198S87.7Confident75.3Confident0 Ų051.2 Ų51.20%028%0.282CS..EExtended strand (participates in β ladder)trans-96118.7173.5-72.50000109.2L158 A161 L162L158-S198 WeakPolarHBondContact CB-O 3.39Å; L158-S198 PolarHBondContact N-O 3.32Å; L158-S198 PolarHBondContact O-N 3.09Å; A161-S198 WeakPolarHBondContact CA-OG 3.26Å; A161-S198 WeakPolarHBondContact CB-OG 2.99Å; L162-S198 PolarHBondContact N-OG 3.07Å
199V88.1Confident75.7Confident0 Ų045.7 Ų45.70%026%0.259CS..EExtended strand (participates in β ladder)trans-101.9119.1171.71770000109.2M155 L156 A157 L185 M187 V197 W321M155-V199 HydrophobicContact CB-CG1 3.9Å; M155-V199 HydrophobicContact SD-CG1 4.3Å; L156-V199 CarbonylContact O-C 3.59Å; L156-V199 VanDerWaalsContact O-CA 3.31Å; L156-V199 WeakPolarHBondContact O-CA 3.32Å; A157-V199 HydrophobicContact CB-CG2 4.03Å; L185-V199 HydrophobicContact CB-CB 4.48Å; L185-V199 PolarHBondContact N-O 2.7Å; L185-V199 PolarHBondContact O-N 2.77Å; M187-V199 HydrophobicContact CE-CB 4.05Å; M187-V199 HydrophobicContact CE-CG2 3.44Å; M187-V199 VanDerWaalsContact CE-CG2 3.44Å; V197-V199 HydrophobicContact CG1-CG2 4.23Å; V199-W321 HydrophobicContact CG2-CZ3 4.24Å
200V87.9Confident76.5Confident0 Ų049.6 Ų49.60%028%0.276CS..EExtended strand (participates in β ladder)trans-93.9123.6175.2-174.40000108.2M155 L156 L158 L171 F178 A181 L184 F202M155-V200 CarbonylContact C-O 3.37Å; M155-V200 VanDerWaalsContact CA-O 3.23Å; M155-V200 WeakPolarHBondContact CA-O 3.37Å; L156-V200 PolarHBondContact N-O 3.31Å; L156-V200 PolarHBondContact O-N 2.84Å; L158-V200 HydrophobicContact CD1-CG2 3.75Å; L158-V200 HydrophobicContact CG-CG2 4.33Å; L171-V200 HydrophobicContact CD2-CG2 4.47Å; F178-V200 HydrophobicContact CD1-CB 4.44Å; F178-V200 HydrophobicContact CD1-CG1 4.06Å; F178-V200 HydrophobicContact CD1-CG2 4.09Å; F178-V200 HydrophobicContact CE1-CB 4.41Å; F178-V200 HydrophobicContact CE1-CG2 3.88Å; A181-V200 HydrophobicContact CB-CG1 3.56Å; L184-V200 HydrophobicContact CD1-CG2 4Å; V200-F202 HydrophobicContact CB-CE2 3.97Å; V200-F202 HydrophobicContact CB-CZ 4.32Å; V200-F202 HydrophobicContact CG1-CD2 4.38Å; V200-F202 HydrophobicContact CG1-CE1 4.45Å; V200-F202 HydrophobicContact CG1-CE2 3.72Å; V200-F202 HydrophobicContact CG1-CZ 3.76Å
201V86.1Confident77.8Confident9 Ų946.5 Ų46.56%0.05526%0.257CS..EExtended strand (participates in β ladder)trans-96.5138.2176.1-174.20000108.8M155 K182 E183 L185M155-V201 HydrophobicContact CE-CG1 4.1Å; M155-V201 HydrophobicContact CE-CG2 4.11Å; M155-V201 HydrophobicContact CG-CB 4.33Å; M155-V201 HydrophobicContact CG-CG1 4.13Å; M155-V201 HydrophobicContact CG-CG2 4.05Å; M155-V201 HydrophobicContact SD-CG2 4.11Å; K182-V201 WeakPolarHBondContact CB-O 3.4Å; K182-V201 PolarHBondContact N-O 2.62Å; E183-V201 HydrophobicContact CB-CB 3.99Å; E183-V201 HydrophobicContact CB-CG2 4.14Å; E183-V201 PolarHBondContact N-O 2.64Å; E183-V201 PolarHBondContact O-N 2.88Å; L185-V201 HydrophobicContact CD1-CG2 3.95Å; L185-V201 HydrophobicContact CG-CG2 4.36Å
202F87Confident79.2Confident3 Ų345.9 Ų45.91%0.01325%0.253CS..EExtended strand (participates in β ladder)trans-110.2173.6-179.7-67.1-94.8000111.8P154 L156 F178 A180 V200 D207 A208 A211P154-F202 PolarHBondContact O-N 2.89Å; L156-F202 HydrophobicContact CB-CE2 4.2Å; L156-F202 HydrophobicContact CD1-CE2 3.77Å; L156-F202 HydrophobicContact CD1-CZ 4Å; L156-F202 HydrophobicContact CG-CD2 4.49Å; L156-F202 HydrophobicContact CG-CE2 3.77Å; L156-F202 HydrophobicContact CG-CZ 4.5Å; F178-F202 HydrophobicContact CD1-CZ 4.17Å; A180-F202 HydrophobicContact CB-CD1 4.26Å; V200-F202 HydrophobicContact CB-CE2 3.97Å; V200-F202 HydrophobicContact CB-CZ 4.32Å; V200-F202 HydrophobicContact CG1-CD2 4.38Å; V200-F202 HydrophobicContact CG1-CE1 4.45Å; V200-F202 HydrophobicContact CG1-CE2 3.72Å; V200-F202 HydrophobicContact CG1-CZ 3.76Å; F202-D207 HydrophobicContact CB-CB 4.07Å; F202-D207 HydrophobicContact CD1-CB 4.11Å; F202-D207 HydrophobicContact CG-CB 4.45Å; F202-A208 HydrophobicContact CB-CB 4.1Å; F202-A208 HydrophobicContact CD2-CB 3.74Å; F202-A208 HydrophobicContact CE2-CB 4.45Å; F202-A208 HydrophobicContact CG-CB 4Å; F202-A211 HydrophobicContact CD1-CB 4.48Å; F202-A211 HydrophobicContact CE1-CB 3.56Å; F202-A211 HydrophobicContact CE2-CB 4.48Å; F202-A211 HydrophobicContact CZ-CB 3.55Å
203H79.3Confident80.9Confident123 Ų12347.7 Ų47.757%0.56926%0.26SS*.SBendtrans-80.2-31.5179.2-71.787.9000113.1A180A180-H203 PolarHBondContact O-ND1 3.04Å
204S80.2Confident82.2Confident40 Ų4043.6 Ų43.628%0.2824%0.239SC..SBendtrans-140.9164.7173.674.90000112A206 D207 A208S204-A206 PolarHBondContact O-N 3.39Å; S204-A206 PolarHBondContact OG-N 2.7Å; S204-D207 WeakPolarHBondContact CB-OD2 3.41Å; S204-D207 PolarHBondContact N-OD2 3.18Å; S204-D207 VanDerWaalsContact N-OD2 3.11Å; S204-D207 PolarHBondContact O-N 2.78Å; S204-D207 VanDerWaalsContact OG-CG 3.22Å; S204-D207 PolarHBondContact OG-N 2.93Å; S204-D207 VanDerWaalsContact OG-N 3.16Å; S204-D207 PolarHBondContact OG-OD2 2.83Å; S204-A208 PolarHBondContact O-N 3.22Å
205Q79.6Confident83.4Confident42 Ų4239 Ų3920%0.19621%0.209CC..Hα-helixtrans-60.7-34.4171.3-177.458.438.800112A153 P154 A208 D209A153-Q205 PolarHBondContact O-OE1 2.82Å; A153-Q205 VanDerWaalsContact O-OE1 3.09Å; P154-Q205 VanDerWaalsContact N-OE1 3.16Å; Q205-A208 PolarHBondContact O-N 3.49Å; Q205-D209 PolarHBondContact NE2-OD2 3.06Å; Q205-D209 WeakPolarHBondContact O-CB 3.45Å; Q205-D209 PolarHBondContact O-N 3.33Å
206A81.5Confident83.5Confident71 Ų7138.2 Ų38.259%0.58721%0.206SC*.Hα-helixtrans-66.1-37.8178.900000112.3S204 K210S204-A206 PolarHBondContact O-N 3.39Å; S204-A206 PolarHBondContact OG-N 2.7Å; A206-K210 VanDerWaalsContact O-CB 3.31Å; A206-K210 WeakPolarHBondContact O-CB 3.42Å; A206-K210 PolarHBondContact O-N 3.49Å
207D85.3Confident83.1Confident53 Ų5343.8 Ų43.828%0.28322%0.221SC..Hα-helixtrans-66.1-43174.7-59.3-56.5000111.3A180 F202 S204 K210 A211A180-D207 HydrophobicContact CB-CB 4.18Å; F202-D207 HydrophobicContact CB-CB 4.07Å; F202-D207 HydrophobicContact CD1-CB 4.11Å; F202-D207 HydrophobicContact CG-CB 4.45Å; S204-D207 WeakPolarHBondContact CB-OD2 3.41Å; S204-D207 PolarHBondContact N-OD2 3.18Å; S204-D207 VanDerWaalsContact N-OD2 3.11Å; S204-D207 PolarHBondContact O-N 2.78Å; S204-D207 VanDerWaalsContact OG-CG 3.22Å; S204-D207 PolarHBondContact OG-N 2.93Å; S204-D207 VanDerWaalsContact OG-N 3.16Å; S204-D207 PolarHBondContact OG-OD2 2.83Å; D207-K210 PolarHBondContact O-N 2.8Å; D207-A211 WeakPolarHBondContact O-CB 3.47Å; D207-A211 PolarHBondContact O-N 3.18Å
208A83.7Confident82.5Confident1 Ų147.7 Ų47.71%0.00824%0.239CC..Hα-helixtrans-63.7-44.5176.400000112F202 S204 Q205 K210 A211 Y212F202-A208 HydrophobicContact CB-CB 4.1Å; F202-A208 HydrophobicContact CD2-CB 3.74Å; F202-A208 HydrophobicContact CE2-CB 4.45Å; F202-A208 HydrophobicContact CG-CB 4Å; S204-A208 PolarHBondContact O-N 3.22Å; Q205-A208 PolarHBondContact O-N 3.49Å; A208-K210 VanDerWaalsContact C-N 3.34Å; A208-K210 PolarHBondContact O-N 3.45Å; A208-A211 PolarHBondContact O-N 3.19Å; A208-Y212 VanDerWaalsContact O-CB 3.28Å; A208-Y212 WeakPolarHBondContact O-CB 3.41Å; A208-Y212 PolarHBondContact O-N 3.41Å
209D83.4Confident81.5Confident34 Ų3454.8 Ų54.818%0.18228%0.282CS..Hα-helixtrans-70.7-27.4177.3-89.6-50.3000113.5Q205 K213 R226Q205-D209 PolarHBondContact NE2-OD2 3.06Å; Q205-D209 WeakPolarHBondContact O-CB 3.45Å; Q205-D209 PolarHBondContact O-N 3.33Å; D209-K213 WeakPolarHBondContact O-CD 3.03Å; D209-K213 VanDerWaalsContact O-CG 3.23Å; D209-K213 WeakPolarHBondContact O-CG 3.39Å; D209-K213 PolarHBondContact O-N 3.35Å; D209-R226 IonicContact OD1-CZ 3.7Å; D209-R226 IonicContact OD1-NE 2.74Å; D209-R226 PolarHBondContact OD1-NE 3.32Å; D209-R226 IonicContact OD1-NH2 3.76Å; D209-R226 PolarHBondContact OD1-NH2 2.73Å
210K85.9Confident80.7Confident135 Ų13557.6 Ų57.659%0.58730%0.295SS*.Hα-helixtrans-68.8-56169.3-177.6-174.9174.4-167.80110.4A206 D207 A208 Y212 K213 D214A206-K210 VanDerWaalsContact O-CB 3.31Å; A206-K210 WeakPolarHBondContact O-CB 3.42Å; A206-K210 PolarHBondContact O-N 3.49Å; D207-K210 PolarHBondContact O-N 2.8Å; A208-K210 VanDerWaalsContact C-N 3.34Å; A208-K210 PolarHBondContact O-N 3.45Å; K210-Y212 PolarHBondContact O-N 3.21Å; K210-K213 PolarHBondContact O-N 3.35Å; K210-D214 WeakPolarHBondContact CE-OD2 3.44Å; K210-D214 WeakPolarHBondContact CG-OD2 3.48Å; K210-D214 PolarHBondContact O-N 2.84Å
211A85.3Confident80Confident3 Ų367.1 Ų67.13%0.02534%0.336CS..Hα-helixtrans-56-38.5178.600000111.7L156 F202 D207 A208 D214 L215L156-A211 HydrophobicContact CD1-CB 4.03Å; F202-A211 HydrophobicContact CD1-CB 4.48Å; F202-A211 HydrophobicContact CE1-CB 3.56Å; F202-A211 HydrophobicContact CE2-CB 4.48Å; F202-A211 HydrophobicContact CZ-CB 3.55Å; D207-A211 WeakPolarHBondContact O-CB 3.47Å; D207-A211 PolarHBondContact O-N 3.18Å; A208-A211 PolarHBondContact O-N 3.19Å; A211-D214 PolarHBondContact O-N 2.97Å; A211-L215 HydrophobicContact CB-CD1 4.41Å; A211-L215 WeakPolarHBondContact O-CB 3.49Å; A211-L215 WeakPolarHBondContact O-CD1 3.45Å; A211-L215 WeakPolarHBondContact O-CG 3.44Å; A211-L215 PolarHBondContact O-N 3.24Å
212Y85.8Confident79.7Confident33 Ų3368.3 Ų68.313%0.12934%0.341CS..Hα-helixtrans-60.3-45.7174.4-177.2-112.3000112.8L156 A208 K210 S216 V224 R226 N839L156-Y212 HydrophobicContact CD2-CD2 4.02Å; L156-Y212 HydrophobicContact CD2-CG 4.25Å; A208-Y212 VanDerWaalsContact O-CB 3.28Å; A208-Y212 WeakPolarHBondContact O-CB 3.41Å; A208-Y212 PolarHBondContact O-N 3.41Å; K210-Y212 PolarHBondContact O-N 3.21Å; Y212-S216 WeakPolarHBondContact O-CB 3.42Å; Y212-S216 PolarHBondContact O-N 2.65Å; Y212-S216 PolarHBondContact O-OG 3.12Å; Y212-V224 HydrophobicContact CD2-CB 4.47Å; Y212-V224 HydrophobicContact CD2-CG1 3.82Å; Y212-V224 HydrophobicContact CE2-CB 4.45Å; Y212-V224 HydrophobicContact CE2-CG1 4.21Å; Y212-R226 HydrophobicContact CD1-CG 4.21Å; Y212-R226 HydrophobicContact CD2-CG 4.3Å; Y212-R226 HydrophobicContact CE1-CG 4.32Å; Y212-R226 HydrophobicContact CE2-CG 4.42Å; Y212-R226 HydrophobicContact CG-CG 4.21Å; Y212-N839 PolarHBondContact OH-ND2 2.75Å
213K84.8Confident79.4Confident105 Ų10570.2 Ų70.246%0.45735%0.354SS..Hα-helixtrans-67.9-38.6179.5-72.9166.2-173.6172.70112.4D209 K210 R217D209-K213 WeakPolarHBondContact O-CD 3.03Å; D209-K213 VanDerWaalsContact O-CG 3.23Å; D209-K213 WeakPolarHBondContact O-CG 3.39Å; D209-K213 PolarHBondContact O-N 3.35Å; K210-K213 PolarHBondContact O-N 3.35Å; K213-R217 WeakPolarHBondContact O-CD 3.39Å; K213-R217 WeakPolarHBondContact O-CG 3.49Å
214D82.8Confident79.7Confident51 Ų5165 Ų6527%0.27333%0.331SS..Hα-helixtrans-73.8-49.7-178.7-64.9-21.4000110.2S177 K210 A211 S216 R217 E218S177-D214 WeakPolarHBondContact OG-CB 3.03Å; K210-D214 WeakPolarHBondContact CE-OD2 3.44Å; K210-D214 WeakPolarHBondContact CG-OD2 3.48Å; K210-D214 PolarHBondContact O-N 2.84Å; A211-D214 PolarHBondContact O-N 2.97Å; D214-S216 VanDerWaalsContact C-N 3.29Å; D214-S216 PolarHBondContact O-N 3.03Å; D214-R217 WeakPolarHBondContact O-CB 3.29Å; D214-R217 PolarHBondContact O-N 2.68Å; D214-E218 PolarHBondContact O-N 2.96Å
215L81.4Confident80Confident5 Ų563.8 Ų63.83%0.02632%0.323CS..Hα-helixtrans-61.7-31.3174.7-67.2164.1000113.4L156 S175 F178 A211 R217 E218 H220 V224L156-L215 HydrophobicContact CD1-CD1 4.28Å; S175-L215 WeakPolarHBondContact OG-CD2 3.16Å; F178-L215 HydrophobicContact CD1-CD1 4.25Å; F178-L215 HydrophobicContact CE1-CD1 3.44Å; F178-L215 VanDerWaalsContact CE1-CD1 3.44Å; F178-L215 HydrophobicContact CE1-CD2 4.45Å; F178-L215 HydrophobicContact CE2-CD1 4.32Å; F178-L215 HydrophobicContact CE2-CD2 3.85Å; F178-L215 HydrophobicContact CZ-CD1 3.48Å; F178-L215 VanDerWaalsContact CZ-CD1 3.48Å; F178-L215 HydrophobicContact CZ-CD2 3.79Å; F178-L215 HydrophobicContact CZ-CG 4.31Å; A211-L215 HydrophobicContact CB-CD1 4.41Å; A211-L215 WeakPolarHBondContact O-CB 3.49Å; A211-L215 WeakPolarHBondContact O-CD1 3.45Å; A211-L215 WeakPolarHBondContact O-CG 3.44Å; A211-L215 PolarHBondContact O-N 3.24Å; L215-R217 PolarHBondContact O-N 2.91Å; L215-E218 PolarHBondContact O-N 3Å; L215-H220 WeakPolarHBondContact CD2-NE2 3.38Å; L215-V224 HydrophobicContact CB-CG2 4.12Å; L215-V224 HydrophobicContact CD1-CG1 4.49Å
216S71.9Confident80.3Confident50 Ų5065.4 Ų65.435%0.3533%0.327SS..THydrogen-bonded Turntrans-70.3-6.2175.7-62.50000113.8Y212 D214Y212-S216 WeakPolarHBondContact O-CB 3.42Å; Y212-S216 PolarHBondContact O-N 2.65Å; Y212-S216 PolarHBondContact O-OG 3.12Å; D214-S216 VanDerWaalsContact C-N 3.29Å; D214-S216 PolarHBondContact O-N 3.03Å
217R72.4Confident80.5Confident162 Ų16262 Ų6261%0.61130%0.299SS*.THydrogen-bonded Turntrans-106.9-16.2175.3-67.2166.1165.6178.9-6.7112.9K213 D214 L215K213-R217 WeakPolarHBondContact O-CD 3.39Å; K213-R217 WeakPolarHBondContact O-CG 3.49Å; D214-R217 WeakPolarHBondContact O-CB 3.29Å; D214-R217 PolarHBondContact O-N 2.68Å; L215-R217 PolarHBondContact O-N 2.91Å
218E72.6Confident80.5Confident82 Ų8260.3 Ų60.338%0.38329%0.288SS..SBendtrans-89.8136178.9-64.7-176.4166.100110.5S175 D214 L215 H220S175-E218 WeakPolarHBondContact CB-OE2 3.39Å; S175-E218 PolarHBondContact OG-OE2 3.31Å; D214-E218 PolarHBondContact O-N 2.96Å; L215-E218 PolarHBondContact O-N 3Å; E218-H220 VanDerWaalsContact CB-CE1 3.42Å; E218-H220 WeakPolarHBondContact CB-CE1 3.4Å; E218-H220 PolarHBondContact O-N 2.98Å; E218-H220 IonicContact OE2-CE1 2.82Å; E218-H220 PolarHBondContact OE2-CE1 2.92Å; E218-H220 IonicContact OE2-NE2 2.65Å; E218-H220 PolarHBondContact OE2-NE2 3.38Å
219V67.3Low80.6Confident149 Ų14960.2 Ų60.290%0.90329%0.288SS*.  trans-77.4112177.2-1780000108.9
220H70.1Confident80.8Confident58 Ų5858.6 Ų58.627%0.26928%0.279SS..  trans-126.9163.4-173.7-76.94.7000112.5L215 E218 F222L215-H220 WeakPolarHBondContact CD2-NE2 3.38Å; E218-H220 VanDerWaalsContact CB-CE1 3.42Å; E218-H220 WeakPolarHBondContact CB-CE1 3.4Å; E218-H220 PolarHBondContact O-N 2.98Å; E218-H220 IonicContact OE2-CE1 2.82Å; E218-H220 PolarHBondContact OE2-CE1 2.92Å; E218-H220 IonicContact OE2-NE2 2.65Å; E218-H220 PolarHBondContact OE2-NE2 3.38Å; H220-F222 VanDerWaalsContact C-N 3.3Å; H220-F222 HydrophobicContact CB-CE1 4.36Å; H220-F222 HydrophobicContact CB-CE2 4.28Å; H220-F222 HydrophobicContact CB-CZ 4.21Å; H220-F222 AromaticContact CD2-CE2 3.6Å; H220-F222 AromaticContact CD2-CZ 3.34Å; H220-F222 WeakPolarHBondContact CD2-CZ 3.26Å
221K73.6Confident80.6Confident201 Ų20153.1 Ų53.187%0.87426%0.257SS*.SBendtrans-87.87.1178.9-67-175.5178.1179.10114
222F79Confident80.3Confident34 Ų3455.3 Ų55.315%0.14927%0.268CS..SBendtrans-138.6146.9179.950.6-98.2000109.6L158 D159 L162 V174 F178 H220 V224L158-F222 HydrophobicContact CB-CD2 4.09Å; L158-F222 HydrophobicContact CD1-CE2 4.26Å; L158-F222 HydrophobicContact CD2-CD2 3.98Å; L158-F222 HydrophobicContact CD2-CE2 3.9Å; L158-F222 HydrophobicContact CG-CD2 4.43Å; L158-F222 HydrophobicContact CG-CE2 4.49Å; D159-F222 CarbonylContact O-C 3.55Å; D159-F222 VanDerWaalsContact O-CA 3.28Å; D159-F222 WeakPolarHBondContact O-CA 3.17Å; L162-F222 HydrophobicContact CD2-CD1 4.02Å; L162-F222 HydrophobicContact CD2-CE1 3.8Å; L162-F222 HydrophobicContact CD2-CZ 4.43Å; V174-F222 HydrophobicContact CG1-CE1 4.09Å; V174-F222 HydrophobicContact CG1-CZ 4.31Å; F178-F222 HydrophobicContact CE2-CZ 4.18Å; F178-F222 HydrophobicContact CZ-CE2 4.29Å; F178-F222 HydrophobicContact CZ-CZ 4.35Å; H220-F222 VanDerWaalsContact C-N 3.3Å; H220-F222 HydrophobicContact CB-CE1 4.36Å; H220-F222 HydrophobicContact CB-CE2 4.28Å; H220-F222 HydrophobicContact CB-CZ 4.21Å; H220-F222 AromaticContact CD2-CE2 3.6Å; H220-F222 AromaticContact CD2-CZ 3.34Å; H220-F222 WeakPolarHBondContact CD2-CZ 3.26Å; F222-V224 HydrophobicContact CD2-CG2 4.14Å; F222-V224 HydrophobicContact CE2-CG2 4.14Å
223S82.4Confident79.9Confident42 Ų4260.6 Ų60.629%0.29429%0.292SS..EExtended strand (participates in β ladder)trans-79.5156.7169.570.70000110.3L158 D159L158-S223 WeakPolarHBondContact CA-O 3.4Å; D159-S223 PolarHBondContact N-O 3.13Å; D159-S223 VanDerWaalsContact N-O 3.14Å; D159-S223 PolarHBondContact O-N 3.39Å; D159-S223 PolarHBondContact O-OG 3.21Å
224V85.1Confident79.1Confident15 Ų1563.8 Ų63.89%0.09131%0.309CS..EExtended strand (participates in β ladder)trans-121.9128.7177.5-170.30000109L156 A157 L158 Y212 L215 F222L156-V224 HydrophobicContact CB-CG1 4.15Å; L156-V224 HydrophobicContact CD1-CG1 4.15Å; A157-V224 WeakPolarHBondContact O-CA 3.25Å; L158-V224 HydrophobicContact CD2-CB 4.31Å; L158-V224 HydrophobicContact CD2-CG1 3.94Å; L158-V224 HydrophobicContact CD2-CG2 3.83Å; Y212-V224 HydrophobicContact CD2-CB 4.47Å; Y212-V224 HydrophobicContact CD2-CG1 3.82Å; Y212-V224 HydrophobicContact CE2-CB 4.45Å; Y212-V224 HydrophobicContact CE2-CG1 4.21Å; L215-V224 HydrophobicContact CB-CG2 4.12Å; L215-V224 HydrophobicContact CD1-CG1 4.49Å; F222-V224 HydrophobicContact CD2-CG2 4.14Å; F222-V224 HydrophobicContact CE2-CG2 4.14Å
225S85.7Confident78.3Confident14 Ų1462.2 Ų62.210%0.09830%0.303CS..EExtended strand (participates in β ladder)trans-125.4140.3175.2-80.20000111.7L156 A157L156-S225 WeakPolarHBondContact CA-O 3.31Å; A157-S225 PolarHBondContact N-O 2.87Å; A157-S225 PolarHBondContact O-N 2.94Å
226R85.8Confident77.5Confident75 Ų7563.1 Ų63.128%0.28331%0.309SS..EExtended strand (participates in β ladder)trans-63.5138.4166.3-77.1-177.5172.6141.5-11.6110.6L156 D209 Y212 Y228 W321L156-R226 HydrophobicContact CD2-CG 4.41Å; D209-R226 IonicContact OD1-CZ 3.7Å; D209-R226 IonicContact OD1-NE 2.74Å; D209-R226 PolarHBondContact OD1-NE 3.32Å; D209-R226 IonicContact OD1-NH2 3.76Å; D209-R226 PolarHBondContact OD1-NH2 2.73Å; Y212-R226 HydrophobicContact CD1-CG 4.21Å; Y212-R226 HydrophobicContact CD2-CG 4.3Å; Y212-R226 HydrophobicContact CE1-CG 4.32Å; Y212-R226 HydrophobicContact CE2-CG 4.42Å; Y212-R226 HydrophobicContact CG-CG 4.21Å; R226-Y228 HydrophobicContact CB-CE2 3.93Å; R226-Y228 WeakPolarHBondContact O-CD2 3.47Å; R226-Y228 WeakPolarHBondContact O-CE2 3.19Å; R226-W321 VanDerWaalsContact O-CB 3.3Å; R226-W321 WeakPolarHBondContact O-CB 3.35Å
227C86.2Confident77.3Confident0 Ų061.8 Ų61.80%030%0.303CS..EExtended strand (participates in β ladder)trans-91.6151.6171.5-710000112.5A153 M155 L319 F320A153-C227 HydrophobicContact CB-CB 4.17Å; A153-C227 PolarHBondContact N-O 3.45Å; M155-C227 HydrophobicContact CB-CB 3.83Å; M155-C227 VanDerWaalsContact O-CB 3.31Å; M155-C227 WeakPolarHBondContact O-CB 3.16Å; M155-C227 PolarHBondContact O-N 2.83Å; C227-L319 HydrophobicContact CB-CD1 3.67Å; C227-F320 WeakPolarHBondContact CA-O 3.32Å
228Y86.3Confident77.6Confident17 Ų1755.1 Ų55.17%0.06728%0.279CS..EExtended strand (participates in β ladder)trans-134145.2179.7-62.5-99.8000109.1I151 V152 R226 L319 F320 L323I151-Y228 CarbonylContact O-C 3.2Å; I151-Y228 VanDerWaalsContact O-CA 3.27Å; I151-Y228 WeakPolarHBondContact O-CA 3.46Å; V152-Y228 HydrophobicContact CG2-CD1 4.22Å; V152-Y228 HydrophobicContact CG2-CE1 3.89Å; R226-Y228 HydrophobicContact CB-CE2 3.93Å; R226-Y228 WeakPolarHBondContact O-CD2 3.47Å; R226-Y228 WeakPolarHBondContact O-CE2 3.19Å; Y228-L319 WeakPolarHBondContact O-CA 3.24Å; Y228-L319 WeakPolarHBondContact O-CD1 3.4Å; Y228-F320 HydrophobicContact CD2-CE2 4.25Å; Y228-F320 HydrophobicContact CG-CE2 4.12Å; Y228-F320 HydrophobicContact CG-CZ 4Å; Y228-F320 PolarHBondContact N-O 3.18Å; Y228-F320 PolarHBondContact O-N 3.41Å; Y228-L323 HydrophobicContact CE1-CD1 4.23Å; Y228-L323 HydrophobicContact CE2-CD1 3.83Å; Y228-L323 HydrophobicContact CE2-CG 4.27Å
229L85.8Confident78Confident0 Ų052.7 Ų52.70%027%0.269CS..EExtended strand (participates in β ladder)trans-113.3147.3172.9-70.2160.6000109.4C150 I151 A153 T241 L244 Y246 L285 A317 Y318 L319C150-L229 CarbonylContact C-O 3.45Å; C150-L229 VanDerWaalsContact CA-O 3.24Å; C150-L229 WeakPolarHBondContact CA-O 3.44Å; I151-L229 HydrophobicContact CD1-CB 4.35Å; I151-L229 HydrophobicContact CG1-CB 3.9Å; I151-L229 PolarHBondContact N-O 2.9Å; I151-L229 PolarHBondContact O-N 3Å; A153-L229 HydrophobicContact CB-CD1 3.79Å; A153-L229 HydrophobicContact CB-CG 3.96Å; L229-T241 HydrophobicContact CD2-CG2 4.25Å; L229-L244 HydrophobicContact CD1-CD1 3.95Å; L229-L244 HydrophobicContact CD2-CD1 4.25Å; L229-Y246 HydrophobicContact CB-CE2 4.35Å; L229-Y246 VanDerWaalsContact CB-OH 3.29Å; L229-Y246 WeakPolarHBondContact CB-OH 3.36Å; L229-Y246 PolarHBondContact O-OH 2.03Å; L229-L285 HydrophobicContact CD1-CD1 4.2Å; L229-L285 HydrophobicContact CD1-CD2 3.71Å; L229-A317 HydrophobicContact CD2-CB 4.36Å; L229-Y318 CarbonylContact C-O 3.52Å; L229-Y318 VanDerWaalsContact CA-O 3.28Å; L229-Y318 WeakPolarHBondContact CA-O 3.48Å; L229-L319 HydrophobicContact CD2-CB 3.8Å; L229-L319 HydrophobicContact CD2-CD1 4.03Å; L229-L319 HydrophobicContact CD2-CG 4.46Å; L229-L319 HydrophobicContact CG-CD1 4.31Å
230T85.7Confident78.6Confident0 Ų049.2 Ų49.20%024%0.242CC..EExtended strand (participates in β ladder)trans-145.9162.9174.9175.80000110.7L147 S148 D232 L238 Y246 Y318 F320L147-T230 HydrophobicContact CD1-CG2 4.07Å; S148-T230 PolarHBondContact O-OG1 2.8Å; T230-D232 HydrophobicContact CG2-CB 4.4Å; T230-D232 PolarHBondContact OG1-N 3.44Å; T230-L238 HydrophobicContact CG2-CD2 3.52Å; T230-Y246 WeakPolarHBondContact CA-OH 3.39Å; T230-Y246 PolarHBondContact N-OH 3.39Å; T230-Y246 VanDerWaalsContact N-OH 3.17Å; T230-Y246 WeakPolarHBondContact O-CE2 3.3Å; T230-Y318 PolarHBondContact N-O 2.99Å; T230-Y318 PolarHBondContact O-N 3.06Å; T230-F320 HydrophobicContact CG2-CD1 4.07Å; T230-F320 HydrophobicContact CG2-CE1 3.83Å
231T82.9Confident79.1Confident20 Ų2047.2 Ų47.212%0.12323%0.234CC..SBendtrans-89.9-11.2166.751.90000114S148 H149 Y246S148-T231 PolarHBondContact O-N 2.87Å; S148-T231 PolarHBondContact OG-OG1 3.32Å; H149-T231 HydrophobicContact CB-CG2 4.02Å; H149-T231 PolarHBondContact ND1-OG1 2.62Å; T231-Y246 HydrophobicContact CG2-CD1 4.11Å; T231-Y246 HydrophobicContact CG2-CD2 3.42Å; T231-Y246 VanDerWaalsContact CG2-CD2 3.42Å; T231-Y246 HydrophobicContact CG2-CE2 3.92Å; T231-Y246 HydrophobicContact CG2-CG 3.5Å
232D78.9Confident79Confident48 Ų4842.8 Ų42.826%0.25722%0.217SC..  trans-65137.3177.6-73.1-18.6000110.5L147 S148 T230 L238 Y318L147-D232 VanDerWaalsContact CA-OD2 3.27Å; L147-D232 WeakPolarHBondContact CA-OD2 3.46Å; L147-D232 VanDerWaalsContact CB-OD2 3.28Å; L147-D232 WeakPolarHBondContact CB-OD2 3.28Å; L147-D232 WeakPolarHBondContact CD2-OD2 3.5Å; S148-D232 VanDerWaalsContact CB-OD1 3.25Å; S148-D232 WeakPolarHBondContact CB-OD1 3.28Å; S148-D232 PolarHBondContact N-OD2 2.91Å; S148-D232 VanDerWaalsContact OG-CG 3.25Å; S148-D232 PolarHBondContact OG-OD1 3.21Å; T230-D232 HydrophobicContact CG2-CB 4.4Å; T230-D232 PolarHBondContact OG1-N 3.44Å; D232-L238 WeakPolarHBondContact O-CD1 3.47Å; D232-Y318 WeakPolarHBondContact O-CD2 3.48Å
233K76.7Confident78.8Confident145 Ų14544 Ų4463%0.6323%0.23SC*.SBendtrans-100.1-21.1-176.5175.1179.4168.6-132.30113.4Y318K233-Y318 HydrophobicContact CB-CE2 3.87Å; K233-Y318 HydrophobicContact CG-CE1 4.41Å; K233-Y318 HydrophobicContact CG-CE2 4.41Å; K233-Y318 WeakPolarHBondContact CG-OH 3.47Å
234E68.3Low78.9Confident172 Ų17242.6 Ų42.680%0.80422%0.219SC*.SBendtrans-110.32.4-160.3-69168.8-172.700113.3
235A66.3Low78.9Confident18 Ų1841.9 Ų41.915%0.14921%0.214CC..SBendtrans-76.8141.2173.400000112.1L147 L238 I326L147-A235 HydrophobicContact CD1-CB 3.84Å; L147-A235 HydrophobicContact CD2-CB 4.02Å; A235-L238 HydrophobicContact CB-CD1 3.78Å; A235-L238 HydrophobicContact CB-CD2 4.5Å; A235-L238 HydrophobicContact CB-CG 4.03Å; A235-L238 VanDerWaalsContact O-CD1 3.28Å; A235-L238 WeakPolarHBondContact O-CD1 3.39Å; A235-L238 WeakPolarHBondContact O-CG 3.4Å; A235-I326 HydrophobicContact CB-CG1 4.47Å
236P63.8Low79Confident23 Ų2341.3 Ų41.315%0.14921%0.21CC..THydrogen-bonded Turntrans-73137.5179.929.2-34.2000111.4F191 S329 K832F191-P236 HydrophobicContact CE1-CB 4Å; F191-P236 HydrophobicContact CE2-CB 4.21Å; F191-P236 HydrophobicContact CZ-CB 3.79Å; P236-S329 WeakPolarHBondContact CG-OG 3.2Å; P236-K832 HydrophobicContact CB-CD 3.88Å; P236-K832 HydrophobicContact CB-CG 4.32Å; P236-K832 HydrophobicContact CG-CD 3.89Å
237G69.4Low79Confident22 Ų2237.8 Ų37.823%0.22720%0.197CC..THydrogen-bonded Turntrans95.3-2.4-179.200000115.9
238L78.1Confident78.9Confident22 Ų2238.6 Ų38.612%0.11520%0.203CC..  trans-68.1146.2176.9-66.7174000113.6T230 D232 A235 Y318 F320T230-L238 HydrophobicContact CG2-CD2 3.52Å; D232-L238 WeakPolarHBondContact O-CD1 3.47Å; A235-L238 HydrophobicContact CB-CD1 3.78Å; A235-L238 HydrophobicContact CB-CD2 4.5Å; A235-L238 HydrophobicContact CB-CG 4.03Å; A235-L238 VanDerWaalsContact O-CD1 3.28Å; A235-L238 WeakPolarHBondContact O-CD1 3.39Å; A235-L238 WeakPolarHBondContact O-CG 3.4Å; L238-Y318 HydrophobicContact CB-CD1 4.49Å; L238-Y318 HydrophobicContact CD1-CG 4.44Å; L238-F320 HydrophobicContact CD2-CB 4.15Å; L238-F320 HydrophobicContact CD2-CD1 3.63Å; L238-F320 HydrophobicContact CD2-CE1 4.43Å; L238-F320 HydrophobicContact CD2-CG 4.15Å
239I81.3Confident78.5Confident32 Ų3239.5 Ų39.516%0.16422%0.217CC..EExtended strand (participates in β ladder)trans-126.9120171.8-56-176.5000109.8M187 P190 T241 Y318 L319 W321M187-I239 HydrophobicContact CB-CD1 4.35Å; M187-I239 HydrophobicContact CE-CD1 4.17Å; M187-I239 HydrophobicContact SD-CD1 4.2Å; M187-I239 HydrophobicContact SD-CG2 3.96Å; P190-I239 HydrophobicContact CG-CG1 4.04Å; I239-T241 PolarHBondContact O-N 3.42Å; I239-Y318 CarbonylContact O-C 3.43Å; I239-Y318 WeakPolarHBondContact O-CA 3.45Å; I239-L319 PolarHBondContact N-O 3.38Å; I239-L319 PolarHBondContact O-N 2.96Å; I239-W321 HydrophobicContact CD1-CH2 3.51Å; I239-W321 HydrophobicContact CD1-CZ3 3.85Å
240H80.1Confident78.3Confident75 Ų7539.9 Ų39.935%0.34722%0.219SC..EExtended strand (participates in β ladder)trans-68.3115.9179.3177.1-85.3000112.5Q242 Y318H240-Q242 PolarHBondContact O-N 2.97Å; H240-Y318 HydrophobicContact CB-CD1 3.83Å; H240-Y318 HydrophobicContact CB-CE1 3.73Å; H240-Y318 AromaticContact CD2-CE1 3.64Å; H240-Y318 AromaticContact CD2-CZ 3.91Å
241T78.9Confident77.9Confident16 Ų1640.8 Ų40.810%0.09822%0.224CC..EExtended strand (participates in β ladder)trans-84.7108.3179.150.40000111.3L229 I239 S243 A317 L319L229-T241 HydrophobicContact CD2-CG2 4.25Å; I239-T241 PolarHBondContact O-N 3.42Å; T241-S243 PolarHBondContact O-N 2.86Å; T241-A317 PolarHBondContact N-O 3.36Å; T241-A317 WeakPolarHBondContact OG1-CB 3.29Å; T241-A317 PolarHBondContact OG1-O 3.5Å; T241-L319 HydrophobicContact CG2-CB 3.54Å; T241-L319 HydrophobicContact CG2-CD2 3.85Å; T241-L319 HydrophobicContact CG2-CG 4.35Å
242Q72.6Confident77.5Confident108 Ų10843 Ų4351%0.50525%0.245SC..EExtended strand (participates in β ladder)trans-73.9-3.3-174.8-65.2174.8-14.100114.9H240 Q291H240-Q242 PolarHBondContact O-N 2.97Å; Q242-Q291 HydrophobicContact CB-CG 4.22Å
243S75Confident77.4Confident60 Ų6045 Ų4542%0.4226%0.263SS..EExtended strand (participates in β ladder)trans-116.5-3.1-176.654.70000114.2T241 L288T241-S243 PolarHBondContact O-N 2.86Å; S243-L288 PolarHBondContact O-N 3.48Å
244L84.8Confident77.4Confident13 Ų1338.6 Ų38.67%0.06824%0.235CC..EExtended strand (participates in β ladder)trans-125.1145.8-179.5-62.7174.9000110.5M155 L229 L285 L286 Q287 A317M155-L244 HydrophobicContact CE-CD1 4Å; L229-L244 HydrophobicContact CD1-CD1 3.95Å; L229-L244 HydrophobicContact CD2-CD1 4.25Å; L244-L285 HydrophobicContact CB-CD1 4.3Å; L244-L285 HydrophobicContact CD2-CG 4.46Å; L244-L286 WeakPolarHBondContact CA-O 3.37Å; L244-Q287 HydrophobicContact CD2-CB 3.95Å; L244-Q287 HydrophobicContact CD2-CG 3.95Å; L244-A317 HydrophobicContact CB-CB 4.05Å
245A85.4Confident77.7Confident0 Ų038 Ų380%023%0.23CC..EExtended strand (participates in β ladder)trans-142.4148.8175.100000110.9L286 L288 F294 I314A245-L286 HydrophobicContact CB-CB 4.48Å; A245-L286 PolarHBondContact N-O 2.8Å; A245-L286 PolarHBondContact O-N 3.05Å; A245-L288 HydrophobicContact CB-CD1 4.36Å; A245-F294 HydrophobicContact CB-CD2 3.66Å; A245-F294 HydrophobicContact CB-CE2 3.8Å; A245-I314 HydrophobicContact CB-CG2 4.36Å
246Y86.9Confident78.5Confident2 Ų239.9 Ų39.91%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-89.1139.1172.9-81.6-88.2000110.8H149 I151 L229 T230 T231 I283 I314 S315 A317H149-Y246 HydrophobicContact CB-CE1 4.34Å; H149-Y246 PolarHBondContact O-OH 3.17Å; I151-Y246 HydrophobicContact CD1-CE1 3.94Å; I151-Y246 WeakPolarHBondContact CG1-OH 3.5Å; L229-Y246 HydrophobicContact CB-CE2 4.35Å; L229-Y246 VanDerWaalsContact CB-OH 3.29Å; L229-Y246 WeakPolarHBondContact CB-OH 3.36Å; L229-Y246 PolarHBondContact O-OH 2.03Å; T230-Y246 WeakPolarHBondContact CA-OH 3.39Å; T230-Y246 PolarHBondContact N-OH 3.39Å; T230-Y246 VanDerWaalsContact N-OH 3.17Å; T230-Y246 WeakPolarHBondContact O-CE2 3.3Å; T231-Y246 HydrophobicContact CG2-CD1 4.11Å; T231-Y246 HydrophobicContact CG2-CD2 3.42Å; T231-Y246 VanDerWaalsContact CG2-CD2 3.42Å; T231-Y246 HydrophobicContact CG2-CE2 3.92Å; T231-Y246 HydrophobicContact CG2-CG 3.5Å; Y246-I283 HydrophobicContact CD1-CG2 3.49Å; Y246-I283 VanDerWaalsContact CD1-CG2 3.49Å; Y246-I283 HydrophobicContact CE1-CG2 3.8Å; Y246-I314 CarbonylContact O-C 3.59Å; Y246-I314 VanDerWaalsContact O-CA 3.29Å; Y246-I314 WeakPolarHBondContact O-CA 3.42Å; Y246-S315 PolarHBondContact N-O 3.5Å; Y246-S315 PolarHBondContact O-N 3Å; Y246-A317 HydrophobicContact CD2-CB 3.61Å; Y246-A317 HydrophobicContact CE2-CB 3.63Å
247L85.9Confident79.3Confident0 Ų041.1 Ų41.10%025%0.245CC..EExtended strand (participates in β ladder)trans-119.5130.8168-17973.1000109.3L264 I268 A284 L286 L312 S313 I314L247-L264 HydrophobicContact CD2-CD2 3.52Å; L247-I268 HydrophobicContact CD1-CD1 4.18Å; L247-A284 HydrophobicContact CB-CB 4.38Å; L247-A284 PolarHBondContact N-O 3.1Å; L247-A284 PolarHBondContact O-N 3.39Å; L247-L286 HydrophobicContact CB-CD1 4.01Å; L247-L286 HydrophobicContact CB-CD2 4.17Å; L247-L286 HydrophobicContact CB-CG 4Å; L247-L286 HydrophobicContact CD2-CD2 4.26Å; L247-L312 HydrophobicContact CD1-CB 4.12Å; L247-L312 HydrophobicContact CD1-CD1 4.4Å; L247-S313 WeakPolarHBondContact CA-O 3.41Å; L247-I314 HydrophobicContact CD1-CD1 4.23Å; L247-I314 HydrophobicContact CD1-CG1 3.68Å
248S84.7Confident79.8Confident18 Ų1844.1 Ų44.113%0.12625%0.253CS..EExtended strand (participates in β ladder)trans-146.6172.7178.2620000111.5S313S248-S313 PolarHBondContact N-O 2.91Å; S248-S313 PolarHBondContact O-N 3.28Å; S248-S313 PolarHBondContact OG-OG 3.42Å
249G76.7Confident79.8Confident36 Ų3648.3 Ų48.337%0.37127%0.272SS..  trans98.5-10.1-179.200000115
250F82.3Confident79.8Confident7 Ų746.8 Ų46.83%0.03126%0.264CS..SBendtrans-70.1158.2172.958.8-96.8000112.2L260 L277 S282 A284 L307 L312F250-L260 HydrophobicContact CD1-CD2 4.5Å; F250-L260 HydrophobicContact CE1-CD2 4.17Å; F250-L260 HydrophobicContact CE2-CD2 4.35Å; F250-L260 HydrophobicContact CG-CD1 4.32Å; F250-L260 HydrophobicContact CZ-CD2 4.08Å; F250-L277 HydrophobicContact CE2-CD1 3.73Å; F250-L277 HydrophobicContact CZ-CD1 3.49Å; F250-L277 VanDerWaalsContact CZ-CD1 3.49Å; F250-S282 WeakPolarHBondContact CZ-O 3.43Å; F250-A284 HydrophobicContact CE1-CB 4.03Å; F250-A284 HydrophobicContact CZ-CB 4.27Å; F250-L307 HydrophobicContact CB-CD2 4.37Å; F250-L312 HydrophobicContact CB-CD2 3.83Å
251P77.6Confident79.8Confident19 Ų1948.3 Ų48.312%0.12327%0.267CS..  trans-66.1134.7-178.2-22.734.6000114.2S253 I254 D308P251-S253 WeakPolarHBondContact CB-OG 3.05Å; P251-S253 PolarHBondContact O-N 3.11Å; P251-I254 PolarHBondContact O-N 3.47Å; P251-D308 HydrophobicContact CG-CB 4.21Å
252A74.9Confident79.9Confident66 Ų6653.6 Ų53.655%0.54530%0.299SS..THydrogen-bonded Turntrans-63.9-1.8174.800000115.1I254 S282A252-I254 VanDerWaalsContact C-N 3.32Å; A252-S282 WeakPolarHBondContact CB-OG 3.42Å
253S74.8Confident80.3Confident92 Ų9253.1 Ų53.164%0.64330%0.295SS*.THydrogen-bonded Turntrans-74.8-20.7168.148.20000112.8P251 K255P251-S253 WeakPolarHBondContact CB-OG 3.05Å; P251-S253 PolarHBondContact O-N 3.11Å; S253-K255 PolarHBondContact O-N 2.79Å
254I76.9Confident80.7Confident9 Ų950.8 Ų50.85%0.04628%0.278CS..  trans-8397.9178.4-53.6177.1000108.8P251 A252 Q259 L260 K263 L307P251-I254 PolarHBondContact O-N 3.47Å; A252-I254 VanDerWaalsContact C-N 3.32Å; I254-Q259 HydrophobicContact CG2-CB 4.15Å; I254-L260 HydrophobicContact CD1-CD1 4.2Å; I254-L260 HydrophobicContact CG2-CB 3.8Å; I254-L260 HydrophobicContact CG2-CD1 4.37Å; I254-K263 HydrophobicContact CD1-CD 4.22Å; I254-L307 HydrophobicContact CD1-CD2 3.86Å
255K76.4Confident80.5Confident161 Ų16151.9 Ų51.970%0.729%0.286SS*.  trans-99.5-11.7-177.8-66.2-170.4175.2-170.70114.7S253S253-K255 PolarHBondContact O-N 2.79Å
256D81.7Confident80.1Confident57 Ų5755.8 Ų55.831%0.30532%0.318SS..SBendtrans-114.8139.5-176.3162.340.9000111.9E258 Q259 L260 L277D256-E258 VanDerWaalsContact C-N 3.35Å; D256-E258 PolarHBondContact O-N 3.12Å; D256-E258 PolarHBondContact OD1-N 2.83Å; D256-E258 PolarHBondContact OD2-N 2.99Å; D256-Q259 HydrophobicContact CB-CB 4.2Å; D256-Q259 HydrophobicContact CB-CG 4.1Å; D256-Q259 WeakPolarHBondContact OD2-CG 3.42Å; D256-Q259 PolarHBondContact OD2-N 2.88Å; D256-L260 PolarHBondContact O-N 2.75Å; D256-L260 VanDerWaalsContact O-N 3.13Å; D256-L277 VanDerWaalsContact C-CD2 3.43Å; D256-L277 WeakPolarHBondContact O-CD2 3.25Å
257T80.3Confident79.6Confident48 Ų4857.6 Ų57.629%0.29433%0.333SS..Hα-helixtrans-57-40.3174.236.50000113.5L260 R261 F275 L277T257-L260 PolarHBondContact O-N 3.32Å; T257-R261 WeakPolarHBondContact O-CB 3.38Å; T257-R261 PolarHBondContact O-N 3Å; T257-F275 WeakPolarHBondContact O-CZ 3.49Å; T257-L277 HydrophobicContact CG2-CB 3.56Å
258E79.6Confident79.4Confident86 Ų8657.6 Ų57.640%0.40233%0.333SS..Hα-helixtrans-77.1-38.3-176.8-60-55.5146.600111.5D256 L260 R261 V262D256-E258 VanDerWaalsContact C-N 3.35Å; D256-E258 PolarHBondContact O-N 3.12Å; D256-E258 PolarHBondContact OD1-N 2.83Å; D256-E258 PolarHBondContact OD2-N 2.99Å; E258-L260 VanDerWaalsContact C-N 3.29Å; E258-L260 PolarHBondContact O-N 3.18Å; E258-R261 WeakPolarHBondContact O-CB 3.27Å; E258-R261 PolarHBondContact O-N 2.79Å; E258-R261 VanDerWaalsContact O-N 3.09Å; E258-R261 IonicContact OE1-CZ 2.67Å; E258-R261 IonicContact OE1-NH1 3.8Å; E258-R261 PolarHBondContact OE1-NH1 2.68Å; E258-R261 IonicContact OE1-NH2 2.6Å; E258-R261 PolarHBondContact OE1-NH2 2.92Å; E258-R261 VanDerWaalsContact OE1-NH2 3.08Å; E258-R261 WeakPolarHBondContact OE2-CD 3.43Å; E258-R261 IonicContact OE2-CZ 3.59Å; E258-R261 VanDerWaalsContact OE2-CZ 3.23Å; E258-R261 IonicContact OE2-NE 3.72Å; E258-R261 IonicContact OE2-NH1 3.3Å; E258-R261 PolarHBondContact OE2-NH1 2.87Å; E258-R261 IonicContact OE2-NH2 3.18Å; E258-V262 WeakPolarHBondContact O-CG2 3.3Å; E258-V262 PolarHBondContact O-N 2.92Å
259Q79.5Confident79.2Confident110 Ų11059.1 Ų59.151%0.51434%0.342SS..Hα-helixtrans-54.5-43167.8-73.6174.62500112.6I254 D256 K263I254-Q259 HydrophobicContact CG2-CB 4.15Å; D256-Q259 HydrophobicContact CB-CB 4.2Å; D256-Q259 HydrophobicContact CB-CG 4.1Å; D256-Q259 WeakPolarHBondContact OD2-CG 3.42Å; D256-Q259 PolarHBondContact OD2-N 2.88Å; Q259-K263 PolarHBondContact O-N 2.86Å
260L81.2Confident79.3Confident0 Ų059.5 Ų59.50%035%0.346CS..Hα-helixtrans-67.2-43173.8-171.554.8000111.1F250 I254 D256 T257 E258 V262 K263 L264 F275 L277 A284 L307F250-L260 HydrophobicContact CD1-CD2 4.5Å; F250-L260 HydrophobicContact CE1-CD2 4.17Å; F250-L260 HydrophobicContact CE2-CD2 4.35Å; F250-L260 HydrophobicContact CG-CD1 4.32Å; F250-L260 HydrophobicContact CZ-CD2 4.08Å; I254-L260 HydrophobicContact CD1-CD1 4.2Å; I254-L260 HydrophobicContact CG2-CB 3.8Å; I254-L260 HydrophobicContact CG2-CD1 4.37Å; D256-L260 PolarHBondContact O-N 2.75Å; D256-L260 VanDerWaalsContact O-N 3.13Å; T257-L260 PolarHBondContact O-N 3.32Å; E258-L260 VanDerWaalsContact C-N 3.29Å; E258-L260 PolarHBondContact O-N 3.18Å; L260-V262 VanDerWaalsContact C-N 3.31Å; L260-V262 PolarHBondContact O-N 2.69Å; L260-K263 PolarHBondContact O-N 3.48Å; L260-L264 HydrophobicContact CD1-CD2 4.2Å; L260-L264 HydrophobicContact CD1-CG 4.13Å; L260-L264 HydrophobicContact CG-CD1 4.13Å; L260-L264 HydrophobicContact CG-CD2 4.44Å; L260-L264 HydrophobicContact CG-CG 4.05Å; L260-L264 WeakPolarHBondContact O-CG 3.44Å; L260-L264 PolarHBondContact O-N 2.84Å; L260-F275 HydrophobicContact CB-CE2 4.19Å; L260-F275 HydrophobicContact CB-CZ 4.3Å; L260-F275 HydrophobicContact CD2-CE2 3.96Å; L260-F275 HydrophobicContact CG-CE2 4.18Å; L260-F275 HydrophobicContact CG-CZ 4.42Å; L260-L277 HydrophobicContact CD2-CD1 3.94Å; L260-A284 HydrophobicContact CD2-CB 3.96Å; L260-L307 HydrophobicContact CD1-CD1 4.16Å
261R80.9Confident79.3Confident106 Ų10661.8 Ų61.840%0.436%0.356SS..Hα-helixtrans-57.4-42.1-178.4-171172.9-63.4149.810.2112.7T257 E258 K263 F275T257-R261 WeakPolarHBondContact O-CB 3.38Å; T257-R261 PolarHBondContact O-N 3Å; E258-R261 WeakPolarHBondContact O-CB 3.27Å; E258-R261 PolarHBondContact O-N 2.79Å; E258-R261 VanDerWaalsContact O-N 3.09Å; E258-R261 IonicContact OE1-CZ 2.67Å; E258-R261 IonicContact OE1-NH1 3.8Å; E258-R261 PolarHBondContact OE1-NH1 2.68Å; E258-R261 IonicContact OE1-NH2 2.6Å; E258-R261 PolarHBondContact OE1-NH2 2.92Å; E258-R261 VanDerWaalsContact OE1-NH2 3.08Å; E258-R261 WeakPolarHBondContact OE2-CD 3.43Å; E258-R261 IonicContact OE2-CZ 3.59Å; E258-R261 VanDerWaalsContact OE2-CZ 3.23Å; E258-R261 IonicContact OE2-NE 3.72Å; E258-R261 IonicContact OE2-NH1 3.3Å; E258-R261 PolarHBondContact OE2-NH1 2.87Å; E258-R261 IonicContact OE2-NH2 3.18Å; R261-K263 VanDerWaalsContact C-N 3.34Å; R261-F275 HydrophobicContact CB-CE1 3.87Å; R261-F275 HydrophobicContact CB-CZ 3.75Å; R261-F275 HydrophobicContact CG-CE1 4.01Å; R261-F275 HydrophobicContact CG-CZ 4.41Å
262V80.8Confident79.7Confident128 Ų12861.6 Ų61.678%0.77635%0.353SS*.Hα-helixtrans-70.9-29.2178.9175.80000112.1E258 L260E258-V262 WeakPolarHBondContact O-CG2 3.3Å; E258-V262 PolarHBondContact O-N 2.92Å; L260-V262 VanDerWaalsContact C-N 3.31Å; L260-V262 PolarHBondContact O-N 2.69Å
263K80.8Confident79.9Confident98 Ų9864.7 Ų64.743%0.42636%0.355SS..Hα-helixtrans-89.4-15.5178.7-71.8-163.9171.9-149.30115.1I254 Q259 L260 R261 L307 D308I254-K263 HydrophobicContact CD1-CD 4.22Å; Q259-K263 PolarHBondContact O-N 2.86Å; L260-K263 PolarHBondContact O-N 3.48Å; R261-K263 VanDerWaalsContact C-N 3.34Å; K263-L307 HydrophobicContact CB-CD1 3.99Å; K263-L307 HydrophobicContact CB-CG 4.33Å; K263-L307 HydrophobicContact CD-CD2 4.43Å; K263-L307 WeakPolarHBondContact O-CD1 3.32Å; K263-D308 IonicContact NZ-OD1 2.78Å; K263-D308 PolarHBondContact NZ-OD1 3.29Å; K263-D308 IonicContact NZ-OD2 3.52Å; K263-D308 PolarHBondContact NZ-OD2 3.05Å
264L82.1Confident79.9Confident11 Ų1164.5 Ų64.56%0.05834%0.344CS..SBendtrans-68.4129.5-177.9-81171.1000111.9L247 L260 I268 T269 F275 L307L247-L264 HydrophobicContact CD2-CD2 3.52Å; L260-L264 HydrophobicContact CD1-CD2 4.2Å; L260-L264 HydrophobicContact CD1-CG 4.13Å; L260-L264 HydrophobicContact CG-CD1 4.13Å; L260-L264 HydrophobicContact CG-CD2 4.44Å; L260-L264 HydrophobicContact CG-CG 4.05Å; L260-L264 WeakPolarHBondContact O-CG 3.44Å; L260-L264 PolarHBondContact O-N 2.84Å; L264-I268 HydrophobicContact CD2-CD1 4.18Å; L264-T269 HydrophobicContact CB-CG2 3.6Å; L264-T269 HydrophobicContact CD1-CG2 4.5Å; L264-F275 HydrophobicContact CD1-CD1 4.26Å; L264-F275 HydrophobicContact CD1-CE1 3.81Å; L264-F275 HydrophobicContact CD1-CE2 4.42Å; L264-F275 HydrophobicContact CD1-CZ 3.9Å; L264-L307 HydrophobicContact CD2-CD1 4.46Å
265P81.9Confident80.1Confident35 Ų3564.8 Ų64.823%0.22735%0.345CS..  trans-55.5144.1177-29.637.2000113.6A267 I268 T269 L305P265-A267 PolarHBondContact O-N 3.01Å; P265-I268 PolarHBondContact O-N 3.5Å; P265-T269 PolarHBondContact O-N 2.66Å; P265-L305 HydrophobicContact CB-CD2 3.79Å; P265-L305 HydrophobicContact CG-CD2 3.77Å
266A77.1Confident80.3Confident82 Ų8260.2 Ų60.268%0.67833%0.326SS*.Hα-helixtrans-53.7-29.6-178.400000114.2I268 T269 G270A266-I268 VanDerWaalsContact C-N 3.3Å; A266-I268 PolarHBondContact O-N 2.66Å; A266-T269 WeakPolarHBondContact CA-OG1 3.19Å; A266-G270 PolarHBondContact O-N 3.48Å
267A75.6Confident80.4Confident40 Ų4058.6 Ų58.633%0.33132%0.317SS..Hα-helixtrans-58.5-37.8173.500000113.2P265 K271P265-A267 PolarHBondContact O-N 3.01Å; A267-K271 WeakPolarHBondContact O-CG 3.39Å
268I81.2Confident80.2Confident0 Ų058.7 Ų58.70%031%0.312CS..Hα-helixtrans-83.4-50.3178.8-53.6-178.9000110L247 L264 P265 A266 G270 K271 I272 L286 L297 L305 L312 I314L247-I268 HydrophobicContact CD1-CD1 4.18Å; L264-I268 HydrophobicContact CD2-CD1 4.18Å; P265-I268 PolarHBondContact O-N 3.5Å; A266-I268 VanDerWaalsContact C-N 3.3Å; A266-I268 PolarHBondContact O-N 2.66Å; I268-G270 VanDerWaalsContact C-N 3.26Å; I268-G270 PolarHBondContact O-N 2.61Å; I268-K271 PolarHBondContact O-N 2.99Å; I268-I272 HydrophobicContact CG2-CD1 4.46Å; I268-I272 HydrophobicContact CG2-CG2 4.19Å; I268-I272 PolarHBondContact O-N 2.98Å; I268-L286 HydrophobicContact CG2-CD1 3.92Å; I268-L297 HydrophobicContact CG1-CD2 4.23Å; I268-L305 HydrophobicContact CD1-CD1 4.15Å; I268-L305 HydrophobicContact CD1-CD2 4.27Å; I268-L305 HydrophobicContact CG1-CD1 4.18Å; I268-L305 HydrophobicContact CG1-CD2 4.39Å; I268-L312 HydrophobicContact CD1-CD1 4.14Å; I268-I314 HydrophobicContact CD1-CD1 4.45Å
269T80.7Confident79.8Confident51 Ų5157 Ų5731%0.31331%0.31SS..Hα-helixtrans-64.8-29.1-176.255.60000113L264 P265 A266 K271L264-T269 HydrophobicContact CB-CG2 3.6Å; L264-T269 HydrophobicContact CD1-CG2 4.5Å; P265-T269 PolarHBondContact O-N 2.66Å; A266-T269 WeakPolarHBondContact CA-OG1 3.19Å; T269-K271 VanDerWaalsContact C-N 3.27Å; T269-K271 PolarHBondContact O-N 2.62Å
270G79.2Confident79.2Confident44 Ų4460.9 Ų60.945%0.45433%0.328SS..THydrogen-bonded Turntrans-64.5-2617100000114.4A266 I268 K289A266-G270 PolarHBondContact O-N 3.48Å; I268-G270 VanDerWaalsContact C-N 3.26Å; I268-G270 PolarHBondContact O-N 2.61Å; G270-K289 PolarHBondContact O-NZ 3.44Å
271K82.8Confident78.4Confident54 Ų5463.6 Ų63.624%0.23535%0.351CS..THydrogen-bonded Turntrans-104.4-17.8-168.7-72.4-84.2173.2171.40114.8A267 I268 T269 K289 D293 D296 L297A267-K271 WeakPolarHBondContact O-CG 3.39Å; I268-K271 PolarHBondContact O-N 2.99Å; T269-K271 VanDerWaalsContact C-N 3.27Å; T269-K271 PolarHBondContact O-N 2.62Å; K271-K289 WeakPolarHBondContact O-CB 3.37Å; K271-K289 WeakPolarHBondContact O-CG 3.2Å; K271-K289 PolarHBondContact O-N 3.3Å; K271-D293 HydrophobicContact CB-CB 4.35Å; K271-D293 HydrophobicContact CD-CB 3.73Å; K271-D293 VanDerWaalsContact CD-CG 3.43Å; K271-D293 WeakPolarHBondContact CD-OD1 3.34Å; K271-D293 WeakPolarHBondContact CE-OD1 3.12Å; K271-D293 IonicContact NZ-OD1 2.64Å; K271-D293 PolarHBondContact NZ-OD1 2.99Å; K271-D296 IonicContact NZ-OD2 2.69Å; K271-D296 PolarHBondContact NZ-OD2 3.06Å; K271-L297 HydrophobicContact CB-CD1 3.95Å; K271-L297 HydrophobicContact CB-CD2 4.18Å; K271-L297 HydrophobicContact CB-CG 4.22Å; K271-L297 HydrophobicContact CG-CD2 4.27Å; K271-L297 HydrophobicContact CG-CG 4.43Å
272I84.8Confident78.3Confident15 Ų1560 Ų608%0.07734%0.342CS..EExtended strand (participates in β ladder)trans-92.9149.9179.265.1-173000112.9I268 F275 L286 Q287 L288 K289I268-I272 HydrophobicContact CG2-CD1 4.46Å; I268-I272 HydrophobicContact CG2-CG2 4.19Å; I268-I272 PolarHBondContact O-N 2.98Å; I272-F275 HydrophobicContact CD1-CB 4.44Å; I272-F275 HydrophobicContact CD1-CD1 3.66Å; I272-F275 HydrophobicContact CD1-CE1 4.39Å; I272-F275 HydrophobicContact CD1-CG 4.43Å; I272-L286 HydrophobicContact CG2-CB 3.95Å; I272-L286 HydrophobicContact CG2-CD1 4.13Å; I272-L286 HydrophobicContact CG2-CD2 4.37Å; I272-L286 HydrophobicContact CG2-CG 4.38Å; I272-Q287 CarbonylContact C-O 3.58Å; I272-Q287 WeakPolarHBondContact CA-O 3.47Å; I272-L288 HydrophobicContact CG2-CD2 4.29Å; I272-K289 WeakPolarHBondContact O-CE 3.3Å
273K79.3Confident78.4Confident132 Ų13254 Ų5457%0.57431%0.305SS*.EExtended strand (participates in β ladder)trans-87.6-48.4168.6-67.9-171.7-178.7100.30111.6Q287 L288 K289K273-Q287 PolarHBondContact N-O 2.97Å; K273-L288 PolarHBondContact NZ-O 3.22Å; K273-K289 HydrophobicContact CG-CB 4.41Å; K273-K289 HydrophobicContact CG-CG 3.7Å; K273-K289 PolarHBondContact NZ-O 3.34Å
274Q75.6Confident78.5Confident87 Ų8749.4 Ų49.441%0.40729%0.285SS..EExtended strand (participates in β ladder)trans-147.8164.5175.959.9173.687.700108.4Q287Q274-Q287 VanDerWaalsContact CD-OE1 3.26Å; Q274-Q287 HydrophobicContact CG-CB 3.73Å; Q274-Q287 VanDerWaalsContact CG-OE1 3.31Å; Q274-Q287 PolarHBondContact O-N 2.95Å
275F81.8Confident78.7Confident15 Ų1549.4 Ų49.47%0.06629%0.285CS..EExtended strand (participates in β ladder)trans-144.2157.3164.672.7-89.6000110.5T257 L260 R261 L264 I272 A284 L285 L286T257-F275 WeakPolarHBondContact O-CZ 3.49Å; L260-F275 HydrophobicContact CB-CE2 4.19Å; L260-F275 HydrophobicContact CB-CZ 4.3Å; L260-F275 HydrophobicContact CD2-CE2 3.96Å; L260-F275 HydrophobicContact CG-CE2 4.18Å; L260-F275 HydrophobicContact CG-CZ 4.42Å; R261-F275 HydrophobicContact CB-CE1 3.87Å; R261-F275 HydrophobicContact CB-CZ 3.75Å; R261-F275 HydrophobicContact CG-CE1 4.01Å; R261-F275 HydrophobicContact CG-CZ 4.41Å; L264-F275 HydrophobicContact CD1-CD1 4.26Å; L264-F275 HydrophobicContact CD1-CE1 3.81Å; L264-F275 HydrophobicContact CD1-CE2 4.42Å; L264-F275 HydrophobicContact CD1-CZ 3.9Å; I272-F275 HydrophobicContact CD1-CB 4.44Å; I272-F275 HydrophobicContact CD1-CD1 3.66Å; I272-F275 HydrophobicContact CD1-CE1 4.39Å; I272-F275 HydrophobicContact CD1-CG 4.43Å; F275-A284 HydrophobicContact CD2-CB 4.36Å; F275-L285 CarbonylContact C-O 3.56Å; F275-L285 WeakPolarHBondContact CA-O 3.24Å; F275-L285 WeakPolarHBondContact CB-O 3.33Å; F275-L286 HydrophobicContact CB-CD2 3.65Å; F275-L286 HydrophobicContact CG-CD2 4.32Å
276E80.6Confident78.9Confident65 Ų6547.8 Ų47.830%0.30428%0.275SS..EExtended strand (participates in β ladder)trans-126.4136.9-178.3-172.8168-142.800109.2Y278 A284 L285E276-Y278 HydrophobicContact CB-CE2 4.13Å; E276-Y278 HydrophobicContact CG-CD2 4.5Å; E276-Y278 HydrophobicContact CG-CE2 3.76Å; E276-Y278 PolarHBondContact OE2-OH 3.36Å; E276-A284 CarbonylContact O-C 3.59Å; E276-A284 VanDerWaalsContact O-CA 3.24Å; E276-A284 WeakPolarHBondContact O-CA 3.25Å; E276-L285 PolarHBondContact N-O 3.4Å; E276-L285 PolarHBondContact O-N 3.08Å
277L82.1Confident79.2Confident24 Ų2445.4 Ų45.413%0.12625%0.25CC..EExtended strand (participates in β ladder)trans-106117.6-173.5176.760.5000111.1F250 D256 T257 L260 S279 A284F250-L277 HydrophobicContact CE2-CD1 3.73Å; F250-L277 HydrophobicContact CZ-CD1 3.49Å; F250-L277 VanDerWaalsContact CZ-CD1 3.49Å; D256-L277 VanDerWaalsContact C-CD2 3.43Å; D256-L277 WeakPolarHBondContact O-CD2 3.25Å; T257-L277 HydrophobicContact CG2-CB 3.56Å; L260-L277 HydrophobicContact CD2-CD1 3.94Å; L277-S279 PolarHBondContact O-N 3.1Å; L277-A284 HydrophobicContact CD1-CB 4.39Å
278Y77.3Confident79.7Confident49 Ų4943.6 Ų43.619%0.19223%0.234CC..EExtended strand (participates in β ladder)trans-97.776172.6-66.2-98.3000108I151 E276 E280 A281 S282 I283 L285I151-Y278 HydrophobicContact CB-CD1 4.17Å; I151-Y278 HydrophobicContact CB-CE1 3.99Å; I151-Y278 HydrophobicContact CD1-CD1 4.49Å; I151-Y278 HydrophobicContact CD1-CD2 4.11Å; I151-Y278 HydrophobicContact CD1-CE1 4.15Å; I151-Y278 HydrophobicContact CD1-CE2 3.75Å; I151-Y278 HydrophobicContact CD1-CG 4.48Å; I151-Y278 HydrophobicContact CG2-CD1 3.85Å; I151-Y278 HydrophobicContact CG2-CE1 4.2Å; I151-Y278 HydrophobicContact CG2-CG 4.15Å; E276-Y278 HydrophobicContact CB-CE2 4.13Å; E276-Y278 HydrophobicContact CG-CD2 4.5Å; E276-Y278 HydrophobicContact CG-CE2 3.76Å; E276-Y278 PolarHBondContact OE2-OH 3.36Å; Y278-E280 VanDerWaalsContact C-N 3.32Å; Y278-E280 PolarHBondContact O-N 3.26Å; Y278-A281 PolarHBondContact O-N 3.18Å; Y278-A281 VanDerWaalsContact O-N 3.11Å; Y278-S282 PolarHBondContact O-N 3Å; Y278-I283 CarbonylContact C-O 3.14Å; Y278-I283 WeakPolarHBondContact CA-O 3.23Å; Y278-I283 PolarHBondContact N-O 2.93Å; Y278-I283 PolarHBondContact O-N 2.72Å; Y278-L285 HydrophobicContact CE2-CB 4.09Å
279S70.5Confident79.8Confident50 Ų5048.3 Ų48.335%0.3526%0.255SS..G310 helixtrans-62.5-33.6-169.454.20000113.6L277 A281 S282L277-S279 PolarHBondContact O-N 3.1Å; S279-A281 PolarHBondContact O-N 3.21Å; S279-S282 PolarHBondContact O-N 3.05Å; S279-S282 VanDerWaalsContact O-N 3.16Å
280E66.4Low79.7Confident193 Ų19349.4 Ų49.490%0.90226%0.261SS*.G310 helixtrans-55.8-35174-63-177.916100112.8Y278Y278-E280 VanDerWaalsContact C-N 3.32Å; Y278-E280 PolarHBondContact O-N 3.26Å
281A64.3Low79.3Confident57 Ų5752.9 Ų52.947%0.47127%0.266SS..G310 helixtrans-100.5-2.9-178.900000113.7Y278 S279 I283Y278-A281 PolarHBondContact O-N 3.18Å; Y278-A281 VanDerWaalsContact O-N 3.11Å; S279-A281 PolarHBondContact O-N 3.21Å; A281-I283 VanDerWaalsContact C-N 3.33Å; A281-I283 HydrophobicContact CB-CB 4.33Å; A281-I283 HydrophobicContact CB-CD1 3.61Å; A281-I283 HydrophobicContact CB-CG1 4.1Å; A281-I283 WeakPolarHBondContact O-CG1 3.49Å
282S78.7Confident79Confident30 Ų3057.1 Ų57.121%0.2129%0.287CS..THydrogen-bonded Turntrans55.443.9-170.9-56.60000113.5F250 A252 Y278 S279F250-S282 WeakPolarHBondContact CZ-O 3.43Å; A252-S282 WeakPolarHBondContact CB-OG 3.42Å; Y278-S282 PolarHBondContact O-N 3Å; S279-S282 PolarHBondContact O-N 3.05Å; S279-S282 VanDerWaalsContact O-N 3.16Å
283I83.1Confident78.9Confident3 Ų357 Ų572%0.01529%0.286CS..EExtended strand (participates in β ladder)trans-128.5142.1-174.7-70.5166.2000110.2H149 Y246 Y278 A281H149-I283 HydrophobicContact CB-CD1 3.73Å; H149-I283 VanDerWaalsContact CD2-CD1 3.46Å; H149-I283 WeakPolarHBondContact CD2-CD1 3.49Å; Y246-I283 HydrophobicContact CD1-CG2 3.49Å; Y246-I283 VanDerWaalsContact CD1-CG2 3.49Å; Y246-I283 HydrophobicContact CE1-CG2 3.8Å; Y278-I283 CarbonylContact C-O 3.14Å; Y278-I283 WeakPolarHBondContact CA-O 3.23Å; Y278-I283 PolarHBondContact N-O 2.93Å; Y278-I283 PolarHBondContact O-N 2.72Å; A281-I283 VanDerWaalsContact C-N 3.33Å; A281-I283 HydrophobicContact CB-CB 4.33Å; A281-I283 HydrophobicContact CB-CD1 3.61Å; A281-I283 HydrophobicContact CB-CG1 4.1Å; A281-I283 WeakPolarHBondContact O-CG1 3.49Å
284A84.5Confident79Confident0 Ų052.3 Ų52.30%027%0.266CS..EExtended strand (participates in β ladder)trans-122.3134.9168.400000111.1L247 F250 L260 F275 E276 L277L247-A284 HydrophobicContact CB-CB 4.38Å; L247-A284 PolarHBondContact N-O 3.1Å; L247-A284 PolarHBondContact O-N 3.39Å; F250-A284 HydrophobicContact CE1-CB 4.03Å; F250-A284 HydrophobicContact CZ-CB 4.27Å; L260-A284 HydrophobicContact CD2-CB 3.96Å; F275-A284 HydrophobicContact CD2-CB 4.36Å; E276-A284 CarbonylContact O-C 3.59Å; E276-A284 VanDerWaalsContact O-CA 3.24Å; E276-A284 WeakPolarHBondContact O-CA 3.25Å; L277-A284 HydrophobicContact CD1-CB 4.39Å
285L84.9Confident79.2Confident12 Ų1251.6 Ų51.66%0.06327%0.267CS..EExtended strand (participates in β ladder)trans-93114.8174.5-173.868.5000108.9I151 L229 L244 F275 E276 Y278I151-L285 HydrophobicContact CD1-CD2 4.26Å; L229-L285 HydrophobicContact CD1-CD1 4.2Å; L229-L285 HydrophobicContact CD1-CD2 3.71Å; L244-L285 HydrophobicContact CB-CD1 4.3Å; L244-L285 HydrophobicContact CD2-CG 4.46Å; F275-L285 CarbonylContact C-O 3.56Å; F275-L285 WeakPolarHBondContact CA-O 3.24Å; F275-L285 WeakPolarHBondContact CB-O 3.33Å; E276-L285 PolarHBondContact N-O 3.4Å; E276-L285 PolarHBondContact O-N 3.08Å; Y278-L285 HydrophobicContact CE2-CB 4.09Å
286L86.2Confident79Confident0 Ų053.8 Ų53.80%028%0.279CS..EExtended strand (participates in β ladder)trans-93.6125.6-179.9-52-173.5000110.3L244 A245 L247 I268 I272 F275L244-L286 WeakPolarHBondContact CA-O 3.37Å; A245-L286 HydrophobicContact CB-CB 4.48Å; A245-L286 PolarHBondContact N-O 2.8Å; A245-L286 PolarHBondContact O-N 3.05Å; L247-L286 HydrophobicContact CB-CD1 4.01Å; L247-L286 HydrophobicContact CB-CD2 4.17Å; L247-L286 HydrophobicContact CB-CG 4Å; L247-L286 HydrophobicContact CD2-CD2 4.26Å; I268-L286 HydrophobicContact CG2-CD1 3.92Å; I272-L286 HydrophobicContact CG2-CB 3.95Å; I272-L286 HydrophobicContact CG2-CD1 4.13Å; I272-L286 HydrophobicContact CG2-CD2 4.37Å; I272-L286 HydrophobicContact CG2-CG 4.38Å; F275-L286 HydrophobicContact CB-CD2 3.65Å; F275-L286 HydrophobicContact CG-CD2 4.32Å
287Q84.4Confident78.9Confident33 Ų3350.7 Ų50.715%0.15427%0.265CS..EExtended strand (participates in β ladder)trans-96.8124.2167.6-168172.82800110.1L244 I272 K273 Q274L244-Q287 HydrophobicContact CD2-CB 3.95Å; L244-Q287 HydrophobicContact CD2-CG 3.95Å; I272-Q287 CarbonylContact C-O 3.58Å; I272-Q287 WeakPolarHBondContact CA-O 3.47Å; K273-Q287 PolarHBondContact N-O 2.97Å; Q274-Q287 VanDerWaalsContact CD-OE1 3.26Å; Q274-Q287 HydrophobicContact CG-CB 3.73Å; Q274-Q287 VanDerWaalsContact CG-OE1 3.31Å; Q274-Q287 PolarHBondContact O-N 2.95Å
288L85.5Confident78.6Confident1 Ų151 Ų511%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-88.5155.3-168-58.6176.2000113.4S243 A245 I272 K273 D293 F294 L297S243-L288 PolarHBondContact O-N 3.48Å; A245-L288 HydrophobicContact CB-CD1 4.36Å; I272-L288 HydrophobicContact CG2-CD2 4.29Å; K273-L288 PolarHBondContact NZ-O 3.22Å; L288-D293 HydrophobicContact CB-CB 4.47Å; L288-F294 HydrophobicContact CD1-CB 3.59Å; L288-F294 HydrophobicContact CD1-CD2 4.34Å; L288-F294 HydrophobicContact CD1-CG 4.42Å; L288-L297 HydrophobicContact CD2-CD1 3.73Å
289K82.6Confident78.6Confident100 Ų10054.6 Ų54.644%0.43529%0.288SS..SBendtrans-70.4-46.6175-79.4172.8178.3161.20111.6G270 K271 I272 K273 D293G270-K289 PolarHBondContact O-NZ 3.44Å; K271-K289 WeakPolarHBondContact O-CB 3.37Å; K271-K289 WeakPolarHBondContact O-CG 3.2Å; K271-K289 PolarHBondContact O-N 3.3Å; I272-K289 WeakPolarHBondContact O-CE 3.3Å; K273-K289 HydrophobicContact CG-CB 4.41Å; K273-K289 HydrophobicContact CG-CG 3.7Å; K273-K289 PolarHBondContact NZ-O 3.34Å; K289-D293 WeakPolarHBondContact CB-OD2 3.33Å
290T79.4Confident78.6Confident73 Ų7355.8 Ų55.845%0.44829%0.288SS..SBendtrans-138.6165.2179.573.80000111Q292 D293T290-Q292 VanDerWaalsContact C-N 3.31Å; T290-Q292 PolarHBondContact O-N 2.9Å; T290-D293 WeakPolarHBondContact CA-OD2 3.39Å; T290-D293 WeakPolarHBondContact CB-OD2 3.49Å; T290-D293 PolarHBondContact N-OD2 2.94Å; T290-D293 WeakPolarHBondContact O-CB 3.49Å; T290-D293 PolarHBondContact O-N 2.93Å; T290-D293 PolarHBondContact OG1-OD1 3.45Å; T290-D293 PolarHBondContact OG1-OD2 2.9Å
291Q71.6Confident78.5Confident118 Ų11847.5 Ų47.555%0.55125%0.252SS*.THydrogen-bonded Turntrans-66.6-28.4178.9178.4170.81.100113.7Q242 D293Q242-Q291 HydrophobicContact CB-CG 4.22Å; Q291-D293 VanDerWaalsContact C-N 3.3Å
292Q76.2Confident78.5Confident143 Ų14353 Ų5367%0.66827%0.266SS*.Hα-helixtrans-76-20179.1-70.9175.5-25.300112.5T290 F294 T295 D296T290-Q292 VanDerWaalsContact C-N 3.31Å; T290-Q292 PolarHBondContact O-N 2.9Å; Q292-F294 PolarHBondContact O-N 3.13Å; Q292-T295 PolarHBondContact O-N 3.23Å; Q292-T295 VanDerWaalsContact O-N 3.17Å; Q292-T295 PolarHBondContact O-OG1 2.7Å; Q292-D296 PolarHBondContact O-N 2.88Å; Q292-D296 VanDerWaalsContact O-N 3.12Å
293D81.6Confident77.8Confident11 Ų1159.4 Ų59.46%0.05929%0.29CS..Hα-helixtrans-64.5-27.2179.5-61.1-37.9000112.4K271 L288 K289 T290 Q291 L297K271-D293 HydrophobicContact CB-CB 4.35Å; K271-D293 HydrophobicContact CD-CB 3.73Å; K271-D293 VanDerWaalsContact CD-CG 3.43Å; K271-D293 WeakPolarHBondContact CD-OD1 3.34Å; K271-D293 WeakPolarHBondContact CE-OD1 3.12Å; K271-D293 IonicContact NZ-OD1 2.64Å; K271-D293 PolarHBondContact NZ-OD1 2.99Å; L288-D293 HydrophobicContact CB-CB 4.47Å; K289-D293 WeakPolarHBondContact CB-OD2 3.33Å; T290-D293 WeakPolarHBondContact CA-OD2 3.39Å; T290-D293 WeakPolarHBondContact CB-OD2 3.49Å; T290-D293 PolarHBondContact N-OD2 2.94Å; T290-D293 WeakPolarHBondContact O-CB 3.49Å; T290-D293 PolarHBondContact O-N 2.93Å; T290-D293 PolarHBondContact OG1-OD1 3.45Å; T290-D293 PolarHBondContact OG1-OD2 2.9Å; Q291-D293 VanDerWaalsContact C-N 3.3Å; D293-L297 VanDerWaalsContact O-CB 3.28Å; D293-L297 WeakPolarHBondContact O-CB 3.44Å; D293-L297 WeakPolarHBondContact O-CG 3.47Å; D293-L297 PolarHBondContact O-N 2.97Å
294F81.6Confident76.9Confident35 Ų3564.2 Ų64.215%0.15432%0.315CS..Hα-helixtrans-65.8-45.1174.1-177.5-111.9000111.9A245 L288 Q292 D296 L297 S298 I314 P316A245-F294 HydrophobicContact CB-CD2 3.66Å; A245-F294 HydrophobicContact CB-CE2 3.8Å; L288-F294 HydrophobicContact CD1-CB 3.59Å; L288-F294 HydrophobicContact CD1-CD2 4.34Å; L288-F294 HydrophobicContact CD1-CG 4.42Å; Q292-F294 PolarHBondContact O-N 3.13Å; F294-D296 VanDerWaalsContact C-N 3.35Å; F294-L297 PolarHBondContact O-N 3.48Å; F294-S298 VanDerWaalsContact O-CB 3.28Å; F294-S298 WeakPolarHBondContact O-CB 3.47Å; F294-S298 PolarHBondContact O-N 2.91Å; F294-I314 HydrophobicContact CE2-CG2 4.06Å; F294-P316 HydrophobicContact CE1-CB 4.24Å; F294-P316 HydrophobicContact CZ-CB 3.78Å; F294-P316 HydrophobicContact CZ-CG 4.46Å
295T79.4Confident76.5Confident72 Ų7265.1 Ų65.144%0.44232%0.32SS..Hα-helixtrans-65.8-38.2178.333.30000111.9Q292 Q299Q292-T295 PolarHBondContact O-N 3.23Å; Q292-T295 VanDerWaalsContact O-N 3.17Å; Q292-T295 PolarHBondContact O-OG1 2.7Å; T295-Q299 WeakPolarHBondContact O-CB 3.42Å; T295-Q299 VanDerWaalsContact O-CG 3.3Å; T295-Q299 WeakPolarHBondContact O-CG 3.43Å; T295-Q299 PolarHBondContact O-N 3.35Å; T295-Q299 VanDerWaalsContact O-N 3.11Å
296D78.3Confident76Confident60 Ų6068 Ų6832%0.32134%0.338SS..Hα-helixtrans-62.7-51.8173.5-71.2-4.5000111.3K271 Q292 F294 S298 Q299 Q300K271-D296 IonicContact NZ-OD2 2.69Å; K271-D296 PolarHBondContact NZ-OD2 3.06Å; Q292-D296 PolarHBondContact O-N 2.88Å; Q292-D296 VanDerWaalsContact O-N 3.12Å; F294-D296 VanDerWaalsContact C-N 3.35Å; D296-S298 PolarHBondContact O-N 3.12Å; D296-Q299 PolarHBondContact O-N 3.37Å; D296-Q300 WeakPolarHBondContact O-CB 3.36Å; D296-Q300 WeakPolarHBondContact O-CG 3.21Å; D296-Q300 PolarHBondContact O-N 2.74Å
297L78.8Confident75.5Confident0 Ų068.4 Ų68.40%034%0.34CS..Hα-helixtrans-64.7-39.6-177.8-72.8172.5000112.2I268 K271 L288 D293 F294 Q299 Q300 A301 I314I268-L297 HydrophobicContact CG1-CD2 4.23Å; K271-L297 HydrophobicContact CB-CD1 3.95Å; K271-L297 HydrophobicContact CB-CD2 4.18Å; K271-L297 HydrophobicContact CB-CG 4.22Å; K271-L297 HydrophobicContact CG-CD2 4.27Å; K271-L297 HydrophobicContact CG-CG 4.43Å; L288-L297 HydrophobicContact CD2-CD1 3.73Å; D293-L297 VanDerWaalsContact O-CB 3.28Å; D293-L297 WeakPolarHBondContact O-CB 3.44Å; D293-L297 WeakPolarHBondContact O-CG 3.47Å; D293-L297 PolarHBondContact O-N 2.97Å; F294-L297 PolarHBondContact O-N 3.48Å; L297-Q299 VanDerWaalsContact C-N 3.34Å; L297-Q299 PolarHBondContact O-N 2.7Å; L297-Q300 PolarHBondContact O-N 3.15Å; L297-A301 WeakPolarHBondContact O-CB 3.48Å; L297-A301 PolarHBondContact O-N 3.45Å; L297-I314 HydrophobicContact CB-CD1 3.95Å
298S76.4Confident74.9Confident30 Ų3071.4 Ų71.421%0.2136%0.358CS..Hα-helixtrans-67.4-33.6176.1-169.60000112.4F294 D296 K302F294-S298 VanDerWaalsContact O-CB 3.28Å; F294-S298 WeakPolarHBondContact O-CB 3.47Å; F294-S298 PolarHBondContact O-N 2.91Å; D296-S298 PolarHBondContact O-N 3.12Å; S298-K302 WeakPolarHBondContact O-CG 3.44Å
299Q76.1Confident74Confident125 Ų12575 Ų7558%0.58440%0.395SS*.Hα-helixtrans-73.8-31.5171.8-73-176.633.900113.1T295 D296 L297T295-Q299 WeakPolarHBondContact O-CB 3.42Å; T295-Q299 VanDerWaalsContact O-CG 3.3Å; T295-Q299 WeakPolarHBondContact O-CG 3.43Å; T295-Q299 PolarHBondContact O-N 3.35Å; T295-Q299 VanDerWaalsContact O-N 3.11Å; D296-Q299 PolarHBondContact O-N 3.37Å; L297-Q299 VanDerWaalsContact C-N 3.34Å; L297-Q299 PolarHBondContact O-N 2.7Å
300Q70.3Confident73.5Confident76 Ų7676 Ų7636%0.35540%0.4SS..Hα-helixtrans-77.2-33.5175.9-72.21775.300112.7D296 L297 K302 K303 L305D296-Q300 WeakPolarHBondContact O-CB 3.36Å; D296-Q300 WeakPolarHBondContact O-CG 3.21Å; D296-Q300 PolarHBondContact O-N 2.74Å; L297-Q300 PolarHBondContact O-N 3.15Å; Q300-K302 VanDerWaalsContact C-N 3.25Å; Q300-K302 PolarHBondContact O-N 3.01Å; Q300-K303 WeakPolarHBondContact O-CA 3.31Å; Q300-K303 WeakPolarHBondContact O-CB 3.35Å; Q300-K303 PolarHBondContact O-N 2.88Å; Q300-L305 HydrophobicContact CB-CD1 4.44Å
301A64.8Low73.5Confident19 Ų1978.6 Ų78.616%0.15741%0.406CS..Hα-helixtrans-58.4-39.717300000111.7L297 K303 N304 L305 I314L297-A301 WeakPolarHBondContact O-CB 3.48Å; L297-A301 PolarHBondContact O-N 3.45Å; A301-K303 PolarHBondContact O-N 3.29Å; A301-K303 VanDerWaalsContact O-N 3.08Å; A301-N304 PolarHBondContact O-N 3Å; A301-L305 HydrophobicContact CB-CD1 4.41Å; A301-I314 HydrophobicContact CB-CB 4.27Å; A301-I314 HydrophobicContact CB-CD1 4.31Å; A301-I314 HydrophobicContact CB-CG1 4.23Å
302K64.5Low74Confident173 Ų17373.2 Ų73.275%0.75238%0.382SS*.THydrogen-bonded Turntrans-70.25.1173.2-65.6177.1-178.4-178.70114.7S298 Q300S298-K302 WeakPolarHBondContact O-CG 3.44Å; Q300-K302 VanDerWaalsContact C-N 3.25Å; Q300-K302 PolarHBondContact O-N 3.01Å
303K63.2Low74.3Confident163 Ų16369 Ų6971%0.70937%0.368SS*.THydrogen-bonded Turntrans-118.738.2173-61.9-178.6-178.1-1800111.1Q300 A301Q300-K303 WeakPolarHBondContact O-CA 3.31Å; Q300-K303 WeakPolarHBondContact O-CB 3.35Å; Q300-K303 PolarHBondContact O-N 2.88Å; A301-K303 PolarHBondContact O-N 3.29Å; A301-K303 VanDerWaalsContact O-N 3.08Å
304N65.9Low74.5Confident104 Ų10469.2 Ų69.256%0.55637%0.369SS*.THydrogen-bonded Turntrans59.158.8173.4-60.753.6000114A301 T306 E311A301-N304 PolarHBondContact O-N 3Å; N304-T306 PolarHBondContact O-N 3.33Å; N304-E311 PolarHBondContact ND2-OE1 2.81Å; N304-E311 VanDerWaalsContact ND2-OE1 3.15Å
305L75.1Confident74.8Confident19 Ų1969.2 Ų69.210%0.09937%0.373CS..  trans-64.1121162.2-98.1166.6000109.4P265 I268 Q300 A301 E311 L312 I314P265-L305 HydrophobicContact CB-CD2 3.79Å; P265-L305 HydrophobicContact CG-CD2 3.77Å; I268-L305 HydrophobicContact CD1-CD1 4.15Å; I268-L305 HydrophobicContact CD1-CD2 4.27Å; I268-L305 HydrophobicContact CG1-CD1 4.18Å; I268-L305 HydrophobicContact CG1-CD2 4.39Å; Q300-L305 HydrophobicContact CB-CD1 4.44Å; A301-L305 HydrophobicContact CB-CD1 4.41Å; L305-E311 WeakPolarHBondContact O-CA 3.36Å; L305-L312 HydrophobicContact CB-CB 4.35Å; L305-L312 PolarHBondContact O-N 3.14Å; L305-I314 HydrophobicContact CD1-CD1 4.37Å
306T75.1Confident75Confident73 Ų7367.4 Ų67.445%0.44836%0.362SS..EExtended strand (participates in β ladder)trans-129.8151.6-177.849.80000112.6N304 K310 E311N304-T306 PolarHBondContact O-N 3.33Å; T306-K310 CarbonylContact C-O 3.48Å; T306-K310 WeakPolarHBondContact CA-O 3.43Å; T306-K310 WeakPolarHBondContact CB-O 3.4Å; T306-E311 HydrophobicContact CG2-CG 3.97Å
307L76Confident75.4Confident8 Ų864.5 Ų64.54%0.04235%0.347CS..EExtended strand (participates in β ladder)trans-145.4126.9176.6-174.4155.9000108.7F250 I254 L260 K263 L264 G309 K310 L312F250-L307 HydrophobicContact CB-CD2 4.37Å; I254-L307 HydrophobicContact CD1-CD2 3.86Å; L260-L307 HydrophobicContact CD1-CD1 4.16Å; K263-L307 HydrophobicContact CB-CD1 3.99Å; K263-L307 HydrophobicContact CB-CG 4.33Å; K263-L307 HydrophobicContact CD-CD2 4.43Å; K263-L307 WeakPolarHBondContact O-CD1 3.32Å; L264-L307 HydrophobicContact CD2-CD1 4.46Å; L307-G309 PolarHBondContact O-N 2.76Å; L307-G309 VanDerWaalsContact O-N 3.09Å; L307-K310 PolarHBondContact N-O 3.35Å; L307-K310 PolarHBondContact O-N 3.38Å; L307-L312 HydrophobicContact CB-CD1 3.92Å; L307-L312 HydrophobicContact CB-CD2 4.07Å; L307-L312 HydrophobicContact CB-CG 4.06Å; L307-L312 HydrophobicContact CD1-CD1 4.29Å
308D70.1Confident75.8Confident96 Ų9666 Ų6651%0.51335%0.353SS..THydrogen-bonded Turntrans46.235.8-172.5-61.5-23.5000113.8P251 K263 K310P251-D308 HydrophobicContact CG-CB 4.21Å; K263-D308 IonicContact NZ-OD1 2.78Å; K263-D308 PolarHBondContact NZ-OD1 3.29Å; K263-D308 IonicContact NZ-OD2 3.52Å; K263-D308 PolarHBondContact NZ-OD2 3.05Å; D308-K310 VanDerWaalsContact C-N 3.34Å; D308-K310 PolarHBondContact O-N 3.34Å
309G67.9Low76.3Confident77 Ų7764.6 Ų64.679%0.79434%0.343SS*.THydrogen-bonded Turntrans80.71179.800000116.1L307L307-G309 PolarHBondContact O-N 2.76Å; L307-G309 VanDerWaalsContact O-N 3.09Å
310K72.2Confident76.7Confident122 Ų12258.8 Ų58.853%0.5332%0.316SS..EExtended strand (participates in β ladder)trans-101147.7170.9-69.5-167.8174.3-169.30111.8T306 L307 D308T306-K310 CarbonylContact C-O 3.48Å; T306-K310 WeakPolarHBondContact CA-O 3.43Å; T306-K310 WeakPolarHBondContact CB-O 3.4Å; L307-K310 PolarHBondContact N-O 3.35Å; L307-K310 PolarHBondContact O-N 3.38Å; D308-K310 VanDerWaalsContact C-N 3.34Å; D308-K310 PolarHBondContact O-N 3.34Å
311E79.5Confident77.3Confident126 Ų12656.4 Ų56.459%0.58930%0.304SS*.EExtended strand (participates in β ladder)trans-76.6137.9174.3-64.2-174159.400111.2N304 L305 T306N304-E311 PolarHBondContact ND2-OE1 2.81Å; N304-E311 VanDerWaalsContact ND2-OE1 3.15Å; L305-E311 WeakPolarHBondContact O-CA 3.36Å; T306-E311 HydrophobicContact CG2-CG 3.97Å
312L81.3Confident77.6Confident6 Ų657 Ų573%0.03130%0.304CS..PPolyproline II helixtrans-97.5129.2176.6-64.6179.1000110.2L247 F250 I268 L305 L307L247-L312 HydrophobicContact CD1-CB 4.12Å; L247-L312 HydrophobicContact CD1-CD1 4.4Å; F250-L312 HydrophobicContact CB-CD2 3.83Å; I268-L312 HydrophobicContact CD1-CD1 4.14Å; L305-L312 HydrophobicContact CB-CB 4.35Å; L305-L312 PolarHBondContact O-N 3.14Å; L307-L312 HydrophobicContact CB-CD1 3.92Å; L307-L312 HydrophobicContact CB-CD2 4.07Å; L307-L312 HydrophobicContact CB-CG 4.06Å; L307-L312 HydrophobicContact CD1-CD1 4.29Å
313S83.3Confident77.6Confident54 Ų5450 Ų5038%0.37828%0.275SS..EExtended strand (participates in β ladder)trans-103140.8174.587.50000111.3L247 S248L247-S313 WeakPolarHBondContact CA-O 3.41Å; S248-S313 PolarHBondContact N-O 2.91Å; S248-S313 PolarHBondContact O-N 3.28Å; S248-S313 PolarHBondContact OG-OG 3.42Å
314I86.1Confident77.5Confident15 Ų1543.8 Ų43.88%0.07725%0.25CS..EExtended strand (participates in β ladder)trans-120.2117.4177.9-62.4-178.9000108.8A245 Y246 L247 I268 F294 L297 A301 L305A245-I314 HydrophobicContact CB-CG2 4.36Å; Y246-I314 CarbonylContact O-C 3.59Å; Y246-I314 VanDerWaalsContact O-CA 3.29Å; Y246-I314 WeakPolarHBondContact O-CA 3.42Å; L247-I314 HydrophobicContact CD1-CD1 4.23Å; L247-I314 HydrophobicContact CD1-CG1 3.68Å; I268-I314 HydrophobicContact CD1-CD1 4.45Å; F294-I314 HydrophobicContact CE2-CG2 4.06Å; L297-I314 HydrophobicContact CB-CD1 3.95Å; A301-I314 HydrophobicContact CB-CB 4.27Å; A301-I314 HydrophobicContact CB-CD1 4.31Å; A301-I314 HydrophobicContact CB-CG1 4.23Å; L305-I314 HydrophobicContact CD1-CD1 4.37Å
315S85.9Confident77.1Confident35 Ų3539 Ų3925%0.24523%0.226CC..EExtended strand (participates in β ladder)trans-115.5150.9-176.4-73.80000112Y246Y246-S315 PolarHBondContact N-O 3.5Å; Y246-S315 PolarHBondContact O-N 3Å
316P84.9Confident76.2Confident34 Ų3438.6 Ų38.622%0.22122%0.224CC..EExtended strand (participates in β ladder)trans-64.5154.317129.6-35.3000110.6F294 Y318F294-P316 HydrophobicContact CE1-CB 4.24Å; F294-P316 HydrophobicContact CZ-CB 3.78Å; F294-P316 HydrophobicContact CZ-CG 4.46Å; P316-Y318 HydrophobicContact CB-CE2 4Å; P316-Y318 HydrophobicContact CG-CE2 3.65Å
317A86.4Confident74.9Confident0 Ų037.7 Ų37.70%022%0.22CC..EExtended strand (participates in β ladder)trans-106.7136172.900000110.7L229 T241 L244 Y246L229-A317 HydrophobicContact CD2-CB 4.36Å; T241-A317 PolarHBondContact N-O 3.36Å; T241-A317 WeakPolarHBondContact OG1-CB 3.29Å; T241-A317 PolarHBondContact OG1-O 3.5Å; L244-A317 HydrophobicContact CB-CB 4.05Å; Y246-A317 HydrophobicContact CD2-CB 3.61Å; Y246-A317 HydrophobicContact CE2-CB 3.63Å
318Y86.8Confident73.3Confident30 Ų3041.7 Ų41.712%0.11824%0.239CC..EExtended strand (participates in β ladder)trans-122.3128.2177.7-61.6-86.8000110.3L229 T230 D232 K233 L238 I239 H240 P316L229-Y318 CarbonylContact C-O 3.52Å; L229-Y318 VanDerWaalsContact CA-O 3.28Å; L229-Y318 WeakPolarHBondContact CA-O 3.48Å; T230-Y318 PolarHBondContact N-O 2.99Å; T230-Y318 PolarHBondContact O-N 3.06Å; D232-Y318 WeakPolarHBondContact O-CD2 3.48Å; K233-Y318 HydrophobicContact CB-CE2 3.87Å; K233-Y318 HydrophobicContact CG-CE1 4.41Å; K233-Y318 HydrophobicContact CG-CE2 4.41Å; K233-Y318 WeakPolarHBondContact CG-OH 3.47Å; L238-Y318 HydrophobicContact CB-CD1 4.49Å; L238-Y318 HydrophobicContact CD1-CG 4.44Å; I239-Y318 CarbonylContact O-C 3.43Å; I239-Y318 WeakPolarHBondContact O-CA 3.45Å; H240-Y318 HydrophobicContact CB-CD1 3.83Å; H240-Y318 HydrophobicContact CB-CE1 3.73Å; H240-Y318 AromaticContact CD2-CE1 3.64Å; H240-Y318 AromaticContact CD2-CZ 3.91Å; P316-Y318 HydrophobicContact CB-CE2 4Å; P316-Y318 HydrophobicContact CG-CE2 3.65Å
319L86.6Confident71.8Confident1 Ų138.3 Ų38.31%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-103134.3-174.2177.158.2000110.9M155 M187 C227 Y228 L229 I239 T241M155-L319 HydrophobicContact SD-CD1 4.38Å; M155-L319 HydrophobicContact SD-CD2 4.04Å; M187-L319 HydrophobicContact CE-CD2 3.63Å; M187-L319 HydrophobicContact CE-CG 4.43Å; C227-L319 HydrophobicContact CB-CD1 3.67Å; Y228-L319 WeakPolarHBondContact O-CA 3.24Å; Y228-L319 WeakPolarHBondContact O-CD1 3.4Å; L229-L319 HydrophobicContact CD2-CB 3.8Å; L229-L319 HydrophobicContact CD2-CD1 4.03Å; L229-L319 HydrophobicContact CD2-CG 4.46Å; L229-L319 HydrophobicContact CG-CD1 4.31Å; I239-L319 PolarHBondContact N-O 3.38Å; I239-L319 PolarHBondContact O-N 2.96Å; T241-L319 HydrophobicContact CG2-CB 3.54Å; T241-L319 HydrophobicContact CG2-CD2 3.85Å; T241-L319 HydrophobicContact CG2-CG 4.35Å
320F85Confident70.5Confident3 Ų339.5 Ų39.51%0.01321%0.206CC..EExtended strand (participates in β ladder)trans-149.3170.8173.469.6-80.9000111.1L147 C227 Y228 T230 L238 L323 I326L147-F320 HydrophobicContact CD1-CE1 4.16Å; L147-F320 HydrophobicContact CD1-CZ 4.25Å; C227-F320 WeakPolarHBondContact CA-O 3.32Å; Y228-F320 HydrophobicContact CD2-CE2 4.25Å; Y228-F320 HydrophobicContact CG-CE2 4.12Å; Y228-F320 HydrophobicContact CG-CZ 4Å; Y228-F320 PolarHBondContact N-O 3.18Å; Y228-F320 PolarHBondContact O-N 3.41Å; T230-F320 HydrophobicContact CG2-CD1 4.07Å; T230-F320 HydrophobicContact CG2-CE1 3.83Å; L238-F320 HydrophobicContact CD2-CB 4.15Å; L238-F320 HydrophobicContact CD2-CD1 3.63Å; L238-F320 HydrophobicContact CD2-CE1 4.43Å; L238-F320 HydrophobicContact CD2-CG 4.15Å; F320-L323 HydrophobicContact CE2-CD2 3.83Å; F320-L323 HydrophobicContact CE2-CG 4.25Å; F320-L323 HydrophobicContact CZ-CD2 4.32Å; F320-I326 HydrophobicContact CD2-CD1 3.35Å; F320-I326 HydrophobicContact CE1-CD1 4.45Å; F320-I326 HydrophobicContact CE2-CD1 3.28Å; F320-I326 HydrophobicContact CG-CD1 4.01Å; F320-I326 HydrophobicContact CZ-CD1 3.87Å
321W82.4Confident69Low26 Ų2639.5 Ų39.510%0.09821%0.208CC..  trans-144.12.8177.353.290.3000113.9A157 M187 K189 V197 V199 R226 I239 K835A157-W321 HydrophobicContact CB-CB 4.15Å; A157-W321 HydrophobicContact CB-CD2 3.62Å; A157-W321 HydrophobicContact CB-CE3 4.14Å; A157-W321 HydrophobicContact CB-CG 3.61Å; M187-W321 HydrophobicContact CE-CH2 4.06Å; M187-W321 HydrophobicContact CE-CZ3 3.72Å; K189-W321 HydrophobicContact CG-CZ2 4.49Å; V197-W321 HydrophobicContact CB-CZ2 4.07Å; V197-W321 HydrophobicContact CG1-CH2 4.24Å; V197-W321 HydrophobicContact CG1-CZ2 3.72Å; V197-W321 HydrophobicContact CG2-CZ2 4.09Å; V199-W321 HydrophobicContact CG2-CZ3 4.24Å; R226-W321 VanDerWaalsContact O-CB 3.3Å; R226-W321 WeakPolarHBondContact O-CB 3.35Å; I239-W321 HydrophobicContact CD1-CH2 3.51Å; I239-W321 HydrophobicContact CD1-CZ3 3.85Å; W321-K835 PolarHBondContact O-NZ 2.87Å
322D71.9Confident66.9Low31 Ų3138.6 Ų38.617%0.16621%0.207CC..  trans-109.994.3176.2-164-32.1000112T324 A325 I326 S834 K835D322-T324 PolarHBondContact OD1-N 3.44Å; D322-T324 VanDerWaalsContact OD1-N 3.09Å; D322-T324 PolarHBondContact OD1-OG1 2.86Å; D322-A325 HydrophobicContact CB-CB 4.06Å; D322-A325 WeakPolarHBondContact OD1-CB 3.41Å; D322-A325 PolarHBondContact OD1-N 2.87Å; D322-I326 WeakPolarHBondContact O-CD1 3.42Å; D322-S834 WeakPolarHBondContact OD2-CA 3.29Å; D322-K835 WeakPolarHBondContact OD1-CG 3.48Å; D322-K835 PolarHBondContact OD2-N 2.77Å
323L65.1Low64.9Low28 Ų2843.5 Ų43.515%0.14723%0.23CC..Hα-helixtrans-71.1-29.5176.8-77164.7000113.9P143 C145 Y228 F320 I326 S327P143-L323 HydrophobicContact CB-CD1 4.05Å; P143-L323 HydrophobicContact CG-CD1 3.78Å; C145-L323 HydrophobicContact CB-CD2 4.31Å; Y228-L323 HydrophobicContact CE1-CD1 4.23Å; Y228-L323 HydrophobicContact CE2-CD1 3.83Å; Y228-L323 HydrophobicContact CE2-CG 4.27Å; F320-L323 HydrophobicContact CE2-CD2 3.83Å; F320-L323 HydrophobicContact CE2-CG 4.25Å; F320-L323 HydrophobicContact CZ-CD2 4.32Å; L323-I326 PolarHBondContact O-N 2.65Å; L323-S327 PolarHBondContact O-N 2.97Å
324T59.6Low63.1Low31 Ų3145 Ų4519%0.1923%0.233CC..Hα-helixtrans-79.4-33.4-176.461.70000110.9D322 I326 S327 Q328 K835 L836D322-T324 PolarHBondContact OD1-N 3.44Å; D322-T324 VanDerWaalsContact OD1-N 3.09Å; D322-T324 PolarHBondContact OD1-OG1 2.86Å; T324-I326 PolarHBondContact O-N 2.9Å; T324-S327 PolarHBondContact O-N 3.47Å; T324-Q328 WeakPolarHBondContact O-CB 3.19Å; T324-Q328 WeakPolarHBondContact O-CG 3.46Å; T324-Q328 PolarHBondContact O-N 3.46Å; T324-K835 HydrophobicContact CG2-CG 4.15Å; T324-K835 WeakPolarHBondContact OG1-CA 3.26Å; T324-K835 PolarHBondContact OG1-N 3.43Å; T324-L836 HydrophobicContact CG2-CB 3.94Å; T324-L836 HydrophobicContact CG2-CD2 4.32Å
325A57.6Low61Low5 Ų548.6 Ų48.64%0.04126%0.256CS..Hα-helixtrans-56.3-33.7168.900000112.2D322 S329 K832D322-A325 HydrophobicContact CB-CB 4.06Å; D322-A325 WeakPolarHBondContact OD1-CB 3.41Å; D322-A325 PolarHBondContact OD1-N 2.87Å; A325-S329 PolarHBondContact O-OG 3.15Å; A325-K832 HydrophobicContact CB-CD 4.08Å; A325-K832 PolarHBondContact O-NZ 3.29Å
326I55.9Low58.8Low10 Ų1048.1 Ų48.15%0.05125%0.252CS..Hα-helixtrans-76.1-48.8175.3-67.1158.7000110.7L147 A235 F320 D322 L323 T324 Q328 S329L147-I326 HydrophobicContact CD1-CD1 3.81Å; L147-I326 HydrophobicContact CD1-CG1 4.43Å; L147-I326 HydrophobicContact CD1-CG2 4.17Å; L147-I326 HydrophobicContact CD2-CG2 3.95Å; L147-I326 HydrophobicContact CG-CG2 4.03Å; A235-I326 HydrophobicContact CB-CG1 4.47Å; F320-I326 HydrophobicContact CD2-CD1 3.35Å; F320-I326 HydrophobicContact CE1-CD1 4.45Å; F320-I326 HydrophobicContact CE2-CD1 3.28Å; F320-I326 HydrophobicContact CG-CD1 4.01Å; F320-I326 HydrophobicContact CZ-CD1 3.87Å; D322-I326 WeakPolarHBondContact O-CD1 3.42Å; L323-I326 PolarHBondContact O-N 2.65Å; T324-I326 PolarHBondContact O-N 2.9Å; I326-Q328 VanDerWaalsContact C-N 3.35Å; I326-Q328 PolarHBondContact O-N 3.3Å; I326-S329 WeakPolarHBondContact O-CB 3.24Å; I326-S329 PolarHBondContact O-N 3.04Å; I326-S329 VanDerWaalsContact O-N 3.12Å; I326-S329 PolarHBondContact O-OG 3.36Å
327S48.6Very low56.7Low54 Ų5450.4 Ų50.438%0.37828%0.275SS..Hα-helixtrans-55.4-46.4178.2-165.20000112.5L323 T324 S329 K330 Q331L323-S327 PolarHBondContact O-N 2.97Å; T324-S327 PolarHBondContact O-N 3.47Å; S327-S329 VanDerWaalsContact C-N 3.29Å; S327-S329 PolarHBondContact O-N 3Å; S327-K330 PolarHBondContact O-N 2.72Å; S327-K330 VanDerWaalsContact O-N 3.15Å; S327-Q331 PolarHBondContact O-N 2.87Å
328Q41.4Very low54.5Low92 Ų9252.3 Ų52.343%0.4329%0.288SS..Hα-helixtrans-61-34178.2-75.3171.7-28.200112.5T324 I326 K330 Q331 D332T324-Q328 WeakPolarHBondContact O-CB 3.19Å; T324-Q328 WeakPolarHBondContact O-CG 3.46Å; T324-Q328 PolarHBondContact O-N 3.46Å; I326-Q328 VanDerWaalsContact C-N 3.35Å; I326-Q328 PolarHBondContact O-N 3.3Å; Q328-K330 VanDerWaalsContact C-N 3.32Å; Q328-K330 PolarHBondContact O-N 3.25Å; Q328-Q331 CarbonylContact O-C 3.41Å; Q328-Q331 PolarHBondContact O-N 3.46Å; Q328-Q331 VanDerWaalsContact O-N 3.15Å; Q328-D332 WeakPolarHBondContact O-CB 3.43Å; Q328-D332 PolarHBondContact O-N 2.81Å
329S39.7Very low52.5Low24 Ų2452.8 Ų52.817%0.16829%0.289CS..Hα-helixtrans-61.9-37.5176.5-80000112.8P236 A325 I326 S327 Q331 D332 E333 K832P236-S329 WeakPolarHBondContact CG-OG 3.2Å; A325-S329 PolarHBondContact O-OG 3.15Å; I326-S329 WeakPolarHBondContact O-CB 3.24Å; I326-S329 PolarHBondContact O-N 3.04Å; I326-S329 VanDerWaalsContact O-N 3.12Å; I326-S329 PolarHBondContact O-OG 3.36Å; S327-S329 VanDerWaalsContact C-N 3.29Å; S327-S329 PolarHBondContact O-N 3Å; S329-Q331 VanDerWaalsContact C-N 3.34Å; S329-D332 PolarHBondContact O-N 3.12Å; S329-E333 PolarHBondContact O-N 3.31Å; S329-K832 PolarHBondContact OG-NZ 2.91Å
330K41.1Very low50.6Low102 Ų10254 Ų5444%0.44330%0.295SS..Hα-helixtrans-70.8-31.3176.3-78.4-177.2169.2176.40111.9L146 S327 Q328 D334L146-K330 PolarHBondContact O-NZ 3.26Å; S327-K330 PolarHBondContact O-N 2.72Å; S327-K330 VanDerWaalsContact O-N 3.15Å; Q328-K330 VanDerWaalsContact C-N 3.32Å; Q328-K330 PolarHBondContact O-N 3.25Å; K330-D334 PolarHBondContact O-N 3.31Å
331Q39.1Very low49.2Very low123 Ų12358.6 Ų58.658%0.57532%0.316SS*.Hα-helixtrans-75.5-36.8173.3-66-179.8-59.700112.7S327 Q328 S329 D334 V335S327-Q331 PolarHBondContact O-N 2.87Å; Q328-Q331 CarbonylContact O-C 3.41Å; Q328-Q331 PolarHBondContact O-N 3.46Å; Q328-Q331 VanDerWaalsContact O-N 3.15Å; S329-Q331 VanDerWaalsContact C-N 3.34Å; Q331-D334 PolarHBondContact O-N 3.41Å; Q331-D334 VanDerWaalsContact O-N 3.15Å; Q331-V335 PolarHBondContact O-N 2.82Å; Q331-V335 VanDerWaalsContact O-N 3.16Å
332D36.3Very low48.5Very low107 Ų10760.2 Ų60.257%0.57233%0.327SS*.Hα-helixtrans-68-35175-74-33.3000111.9Q328 S329 D334 V335 S336Q328-D332 WeakPolarHBondContact O-CB 3.43Å; Q328-D332 PolarHBondContact O-N 2.81Å; S329-D332 PolarHBondContact O-N 3.12Å; D332-D334 VanDerWaalsContact C-N 3.29Å; D332-D334 PolarHBondContact O-N 2.92Å; D332-V335 CarbonylContact O-C 3.36Å; D332-V335 PolarHBondContact O-N 3.43Å; D332-S336 PolarHBondContact O-N 3.35Å; D332-S336 VanDerWaalsContact O-N 3.12Å
333E40.3Very low48.7Very low109 Ų10960 Ų6051%0.50933%0.326SS..Hα-helixtrans-62.8-35.6168.8-82.3-173.9-166.900111.9S329 V335 S336S329-E333 PolarHBondContact O-N 3.31Å; E333-V335 VanDerWaalsContact C-N 3.29Å; E333-V335 PolarHBondContact O-N 3.01Å; E333-S336 VanDerWaalsContact O-CB 3.25Å; E333-S336 WeakPolarHBondContact O-CB 3.48Å; E333-S336 PolarHBondContact O-N 3.2Å; E333-S336 PolarHBondContact O-OG 2.8Å
334D44.1Very low49.5Very low84 Ų8460.9 Ų60.945%0.44933%0.329SS..Hα-helixtrans-69.7-26.5176.7-86.7-31.9000113.8K330 Q331 D332 R339K330-D334 PolarHBondContact O-N 3.31Å; Q331-D334 PolarHBondContact O-N 3.41Å; Q331-D334 VanDerWaalsContact O-N 3.15Å; D332-D334 VanDerWaalsContact C-N 3.29Å; D332-D334 PolarHBondContact O-N 2.92Å; D334-R339 VanDerWaalsContact CA-NH1 3.31Å; D334-R339 PolarHBondContact O-NH1 3.48Å; D334-R339 IonicContact OD1-CZ 3.72Å; D334-R339 VanDerWaalsContact OD1-CZ 3.24Å; D334-R339 IonicContact OD1-NH1 3.37Å; D334-R339 PolarHBondContact OD1-NH1 2.63Å; D334-R339 IonicContact OD1-NH2 2.68Å; D334-R339 PolarHBondContact OD1-NH2 3.41Å
335V43.1Very low50.9Low92 Ų9260.2 Ų60.256%0.55832%0.324SS*.THydrogen-bonded Turntrans-99.721.1174.2-165.50000111.8Q331 D332 E333 A337Q331-V335 PolarHBondContact O-N 2.82Å; Q331-V335 VanDerWaalsContact O-N 3.16Å; D332-V335 CarbonylContact O-C 3.36Å; D332-V335 PolarHBondContact O-N 3.43Å; E333-V335 VanDerWaalsContact C-N 3.29Å; E333-V335 PolarHBondContact O-N 3.01Å; V335-A337 PolarHBondContact O-N 2.82Å
336S38Very low52.5Low24 Ų2460 Ų6017%0.16832%0.322CS..  trans-63.7129.8175.254.30000112.4D332 E333 S338 R339D332-S336 PolarHBondContact O-N 3.35Å; D332-S336 VanDerWaalsContact O-N 3.12Å; E333-S336 VanDerWaalsContact O-CB 3.25Å; E333-S336 WeakPolarHBondContact O-CB 3.48Å; E333-S336 PolarHBondContact O-N 3.2Å; E333-S336 PolarHBondContact O-OG 2.8Å; S336-S338 PolarHBondContact O-N 2.88Å; S336-R339 PolarHBondContact O-N 2.73Å
337A41.5Very low54.2Low83 Ų8360.6 Ų60.669%0.68632%0.323SS*.G310 helixtrans-64.2-22.7-174.500000114V335 R339V335-A337 PolarHBondContact O-N 2.82Å; A337-R339 PolarHBondContact O-N 3.49Å
338S40.4Very low56.4Low40 Ų4058.1 Ų58.128%0.2831%0.306SS..G310 helixtrans-67.4-18.3178.252.30000114.1S336 F340S336-S338 PolarHBondContact O-N 2.88Å; S338-F340 PolarHBondContact O-N 2.66Å
339R44.5Very low58.9Low40 Ų4053.8 Ų53.815%0.15129%0.285CS..G310 helixtrans-77.1-6.8-178.4-67.7179169.2-169.8-0.1114.6D334 S336 A337 R874 D1132 H1133D334-R339 VanDerWaalsContact CA-NH1 3.31Å; D334-R339 PolarHBondContact O-NH1 3.48Å; D334-R339 IonicContact OD1-CZ 3.72Å; D334-R339 VanDerWaalsContact OD1-CZ 3.24Å; D334-R339 IonicContact OD1-NH1 3.37Å; D334-R339 PolarHBondContact OD1-NH1 2.63Å; D334-R339 IonicContact OD1-NH2 2.68Å; D334-R339 PolarHBondContact OD1-NH2 3.41Å; S336-R339 PolarHBondContact O-N 2.73Å; A337-R339 PolarHBondContact O-N 3.49Å; R339-R874 VanDerWaalsContact C-NH2 3.27Å; R339-R874 VanDerWaalsContact CB-CZ 3.49Å; R339-R874 VanDerWaalsContact O-CZ 3.3Å; R339-R874 PolarHBondContact O-NH2 2.82Å; R339-D1132 IonicContact NE-OD1 3.58Å; R339-D1132 IonicContact NH2-OD1 2.66Å; R339-H1133 HydrophobicContact CG-CB 4.32Å
340F46.3Very low61.5Low26 Ų2652.6 Ų52.611%0.11428%0.277CS..G310 helixtrans-97-3.7-172-73-74.6000114.7G99 T100 L105 S338 R874G99-F340 CarbonylContact C-O 3.55Å; G99-F340 WeakPolarHBondContact CA-O 3.41Å; G99-F340 WeakPolarHBondContact O-CB 3.36Å; G99-F340 WeakPolarHBondContact O-CD1 3.4Å; G99-F340 WeakPolarHBondContact O-CG 3.26Å; T100-F340 HydrophobicContact CG2-CB 4.03Å; T100-F340 WeakPolarHBondContact CG2-O 3.45Å; T100-F340 PolarHBondContact N-O 2.9Å; T100-F340 VanDerWaalsContact N-O 3.15Å; L105-F340 HydrophobicContact CD2-CD1 3.8Å; L105-F340 HydrophobicContact CD2-CD2 4.46Å; L105-F340 HydrophobicContact CD2-CE1 3.24Å; L105-F340 HydrophobicContact CD2-CE2 3.95Å; L105-F340 HydrophobicContact CD2-CG 4.4Å; L105-F340 HydrophobicContact CD2-CZ 3.3Å; S338-F340 PolarHBondContact O-N 2.66Å; F340-R874 VanDerWaalsContact CE1-NH2 3.33Å
341E57Low64Low100 Ų10048.2 Ų48.247%0.46726%0.258SS..  trans-69.7130.4-171-64.1175.2170.200114K1142E341-K1142 IonicContact OE2-NZ 3.71Å; E341-K1142 PolarHBondContact OE2-NZ 2.66Å
342D68Low66.7Low60 Ų6042.4 Ų42.432%0.32123%0.231SC..  trans-67.7122.6167.7173.613.8000110.6E344D342-E344 PolarHBondContact O-N 3.49Å; D342-E344 VanDerWaalsContact OD1-CA 3.3Å; D342-E344 WeakPolarHBondContact OD1-CA 3.37Å; D342-E344 PolarHBondContact OD1-N 2.04Å
343N74.4Confident69.3Low26 Ų2637.3 Ų37.314%0.13920%0.203CC..  trans-79.34176.8-69.8-34.1000113.5E345 D1129 K1142N343-E345 VanDerWaalsContact C-N 3.28Å; N343-E345 HydrophobicContact CB-CG 4.01Å; N343-E345 WeakPolarHBondContact CB-OE1 3.28Å; N343-E345 PolarHBondContact ND2-OE1 2.99Å; N343-D1129 PolarHBondContact ND2-OD2 2.95Å; N343-K1142 WeakPolarHBondContact OD1-CE 3.39Å
344E83.4Confident71.6Confident46 Ų4634.5 Ų34.522%0.21519%0.191CC..SBendtrans63.923-165.7-56-172.216800113.7D342 L346 R347 Y348D342-E344 PolarHBondContact O-N 3.49Å; D342-E344 VanDerWaalsContact OD1-CA 3.3Å; D342-E344 WeakPolarHBondContact OD1-CA 3.37Å; D342-E344 PolarHBondContact OD1-N 2.04Å; E344-L346 PolarHBondContact O-N 2.67Å; E344-R347 HydrophobicContact CB-CB 4Å; E344-R347 VanDerWaalsContact CD-NH1 3.26Å; E344-R347 WeakPolarHBondContact O-CA 3.38Å; E344-R347 WeakPolarHBondContact O-CB 3.09Å; E344-R347 PolarHBondContact O-N 3.1Å; E344-R347 IonicContact OE1-NH1 2.74Å; E344-R347 PolarHBondContact OE1-NH1 3.43Å; E344-R347 VanDerWaalsContact OE1-NH1 3.12Å; E344-R347 WeakPolarHBondContact OE2-CD 3.37Å; E344-R347 IonicContact OE2-CZ 3.74Å; E344-R347 IonicContact OE2-NE 2.67Å; E344-R347 IonicContact OE2-NH1 3.79Å; E344-R347 PolarHBondContact OE2-NH1 2.93Å; E344-Y348 HydrophobicContact CB-CD2 4.21Å; E344-Y348 HydrophobicContact CB-CE2 3.85Å; E344-Y348 VanDerWaalsContact O-CD2 3.22Å; E344-Y348 WeakPolarHBondContact O-CD2 3.21Å; E344-Y348 PolarHBondContact O-N 3.01Å
345E87.4Confident73.7Confident17 Ų1735.3 Ų35.38%0.07919%0.19CC..Hα-helixtrans-54-51.3-177.1-85.3142.4-174.800113.2N343 R347 Y348 S349 D424 Y1149N343-E345 VanDerWaalsContact C-N 3.28Å; N343-E345 HydrophobicContact CB-CG 4.01Å; N343-E345 WeakPolarHBondContact CB-OE1 3.28Å; N343-E345 PolarHBondContact ND2-OE1 2.99Å; E345-R347 PolarHBondContact O-N 2.88Å; E345-Y348 PolarHBondContact O-N 3Å; E345-Y348 VanDerWaalsContact O-N 3.17Å; E345-S349 PolarHBondContact O-N 2.8Å; E345-D424 CarbonylContact C-O 3.54Å; E345-Y1149 HydrophobicContact CG-CE2 4.06Å; E345-Y1149 WeakPolarHBondContact CG-OH 3.44Å
346L91.9Very high75.9Confident0 Ų031.6 Ų31.60%017%0.166CC..Hα-helixtrans-52.9-39.3174178.566.5000112.3Y94 W96 E344 Y348 S349 L350 I365 P372 W374 D424Y94-L346 HydrophobicContact CD1-CD1 3.55Å; Y94-L346 HydrophobicContact CD2-CD1 4.19Å; Y94-L346 HydrophobicContact CE1-CD1 3.94Å; Y94-L346 HydrophobicContact CG-CD1 3.68Å; W96-L346 HydrophobicContact CB-CD2 3.89Å; W96-L346 HydrophobicContact CD2-CD2 4.11Å; W96-L346 HydrophobicContact CG-CD2 3.63Å; E344-L346 PolarHBondContact O-N 2.67Å; L346-Y348 PolarHBondContact O-N 2.87Å; L346-S349 PolarHBondContact O-N 2.85Å; L346-L350 HydrophobicContact CD1-CG 4.36Å; L346-L350 HydrophobicContact CG-CG 4.48Å; L346-L350 WeakPolarHBondContact O-CG 3.31Å; L346-L350 PolarHBondContact O-N 3.03Å; L346-I365 HydrophobicContact CD2-CD1 4.45Å; L346-I365 HydrophobicContact CD2-CG2 4.17Å; L346-P372 HydrophobicContact CD2-CG 4.12Å; L346-W374 HydrophobicContact CB-CZ2 4.31Å; L346-W374 HydrophobicContact CD2-CH2 4.15Å; L346-W374 HydrophobicContact CD2-CZ2 4.15Å; L346-W374 HydrophobicContact CG-CH2 4.11Å; L346-W374 HydrophobicContact CG-CZ2 4.23Å; L346-D424 HydrophobicContact CB-CB 3.79Å; L346-D424 HydrophobicContact CD1-CB 4.27Å
347R92.4Very high78.3Confident24 Ų2430.4 Ų30.49%0.09116%0.158CC..Hα-helixtrans-61.4-46.7-177.9-170.5-165.9-179.8153.615.3111.2E344 E345 R351 W374 E1160E344-R347 HydrophobicContact CB-CB 4Å; E344-R347 VanDerWaalsContact CD-NH1 3.26Å; E344-R347 WeakPolarHBondContact O-CA 3.38Å; E344-R347 WeakPolarHBondContact O-CB 3.09Å; E344-R347 PolarHBondContact O-N 3.1Å; E344-R347 IonicContact OE1-NH1 2.74Å; E344-R347 PolarHBondContact OE1-NH1 3.43Å; E344-R347 VanDerWaalsContact OE1-NH1 3.12Å; E344-R347 WeakPolarHBondContact OE2-CD 3.37Å; E344-R347 IonicContact OE2-CZ 3.74Å; E344-R347 IonicContact OE2-NE 2.67Å; E344-R347 IonicContact OE2-NH1 3.79Å; E344-R347 PolarHBondContact OE2-NH1 2.93Å; E345-R347 PolarHBondContact O-N 2.88Å; R347-R351 PolarHBondContact O-N 3.41Å; R347-W374 HydrophobicContact CB-CD2 4.24Å; R347-W374 HydrophobicContact CB-CE3 4.46Å; R347-W374 HydrophobicContact CB-CH2 3.91Å; R347-W374 HydrophobicContact CB-CZ2 3.61Å; R347-W374 HydrophobicContact CB-CZ3 4.31Å; R347-W374 HydrophobicContact CG-CD2 3.96Å; R347-W374 HydrophobicContact CG-CE3 4.01Å; R347-W374 HydrophobicContact CG-CH2 4.27Å; R347-W374 HydrophobicContact CG-CZ2 4.2Å; R347-W374 HydrophobicContact CG-CZ3 4.16Å; R347-E1160 HydrophobicContact CG-CG 4.22Å; R347-E1160 IonicContact CZ-OE2 3.85Å; R347-E1160 VanDerWaalsContact CZ-OE2 3.22Å; R347-E1160 IonicContact NE-OE2 2.83Å; R347-E1160 PolarHBondContact NE-OE2 2.85Å; R347-E1160 IonicContact NH2-OE2 3.13Å; R347-E1160 PolarHBondContact NH2-OE2 3.28Å
348Y93.6Very high80.3Confident2 Ų228.7 Ų28.71%0.00814%0.14CC..Hα-helixtrans-77.2-28.6179.1-64.6-78000111.8E344 E345 L346 R351 S352 Y1149 E1150 F1153E344-Y348 HydrophobicContact CB-CD2 4.21Å; E344-Y348 HydrophobicContact CB-CE2 3.85Å; E344-Y348 VanDerWaalsContact O-CD2 3.22Å; E344-Y348 WeakPolarHBondContact O-CD2 3.21Å; E344-Y348 PolarHBondContact O-N 3.01Å; E345-Y348 PolarHBondContact O-N 3Å; E345-Y348 VanDerWaalsContact O-N 3.17Å; L346-Y348 PolarHBondContact O-N 2.87Å; Y348-R351 WeakPolarHBondContact O-CB 3.37Å; Y348-R351 PolarHBondContact O-N 3.07Å; Y348-S352 PolarHBondContact O-N 2.91Å; Y348-Y1149 AromaticContact CD2-CD2 3.77Å; Y348-Y1149 HydrophobicContact CD2-CD2 3.77Å; Y348-Y1149 AromaticContact CD2-CG 3.86Å; Y348-Y1149 HydrophobicContact CD2-CG 3.86Å; Y348-Y1149 HydrophobicContact CE2-CD2 4.2Å; Y348-Y1149 HydrophobicContact CE2-CG 4.43Å; Y348-Y1149 HydrophobicContact CG-CD2 4.33Å; Y348-Y1149 AromaticContact CG-CG 3.95Å; Y348-Y1149 HydrophobicContact CG-CG 3.95Å; Y348-E1150 HydrophobicContact CE1-CG 4.08Å; Y348-F1153 HydrophobicContact CD1-CB 4.3Å
349S94.6Very high82.3Confident0 Ų029.4 Ų29.40%014%0.137CC..Hα-helixtrans-62-45.4169.3-171.50000111.5Y94 E345 L346 R351 S352 V353 V426Y94-S349 VanDerWaalsContact CE1-OG 3.29Å; Y94-S349 WeakPolarHBondContact CE1-OG 3.32Å; Y94-S349 PolarHBondContact OH-OG 2.67Å; E345-S349 PolarHBondContact O-N 2.8Å; L346-S349 PolarHBondContact O-N 2.85Å; S349-R351 VanDerWaalsContact C-N 3.33Å; S349-R351 PolarHBondContact O-N 2.93Å; S349-S352 WeakPolarHBondContact O-CA 3.45Å; S349-S352 VanDerWaalsContact O-CB 3.31Å; S349-S352 WeakPolarHBondContact O-CB 3.42Å; S349-S352 PolarHBondContact O-N 2.76Å; S349-S352 PolarHBondContact O-OG 2.94Å; S349-V353 PolarHBondContact O-N 3.17Å; S349-V426 WeakPolarHBondContact CB-O 3.31Å; S349-V426 PolarHBondContact OG-O 3.39Å
350L94Very high84.3Confident0 Ų027.6 Ų27.60%013%0.13CC..Hα-helixtrans-61.7-35.6173.7-69.4-174.9000113.3Y94 L346 S352 V353 E354 I363 I365 W374 L375 F1159Y94-L350 HydrophobicContact CD2-CD2 4.03Å; Y94-L350 HydrophobicContact CE2-CD2 3.45Å; Y94-L350 VanDerWaalsContact CE2-CD2 3.45Å; L346-L350 HydrophobicContact CD1-CG 4.36Å; L346-L350 HydrophobicContact CG-CG 4.48Å; L346-L350 WeakPolarHBondContact O-CG 3.31Å; L346-L350 PolarHBondContact O-N 3.03Å; L350-S352 VanDerWaalsContact C-N 3.32Å; L350-V353 PolarHBondContact O-N 2.94Å; L350-E354 PolarHBondContact O-N 3.49Å; L350-E354 VanDerWaalsContact O-N 3.09Å; L350-I363 HydrophobicContact CD2-CD1 3.9Å; L350-I363 HydrophobicContact CD2-CG2 3.81Å; L350-I365 HydrophobicContact CD1-CD1 4.33Å; L350-W374 HydrophobicContact CD1-CH2 3.79Å; L350-W374 HydrophobicContact CD1-CZ3 3.92Å; L350-L375 HydrophobicContact CD1-CD1 4.06Å; L350-F1159 HydrophobicContact CB-CD2 4.17Å; L350-F1159 HydrophobicContact CD1-CB 4.22Å
351R93.8Very high86.2Confident10 Ų1031.7 Ų31.74%0.03815%0.145CC..Hα-helixtrans-64.5-36.9169.6-67.9176.4-179.1-169.26.1112.2R347 Y348 S349 E354 K355 F1153 L1155 E1160R347-R351 PolarHBondContact O-N 3.41Å; Y348-R351 WeakPolarHBondContact O-CB 3.37Å; Y348-R351 PolarHBondContact O-N 3.07Å; S349-R351 VanDerWaalsContact C-N 3.33Å; S349-R351 PolarHBondContact O-N 2.93Å; R351-E354 PolarHBondContact O-N 3.11Å; R351-K355 WeakPolarHBondContact O-CB 3.34Å; R351-K355 PolarHBondContact O-N 3.18Å; R351-F1153 HydrophobicContact CB-CB 3.88Å; R351-F1153 HydrophobicContact CB-CG 4.34Å; R351-F1153 WeakPolarHBondContact CD-O 3.3Å; R351-F1153 PolarHBondContact NH1-O 2.96Å; R351-L1155 VanDerWaalsContact CD-O 3.26Å; R351-L1155 WeakPolarHBondContact CD-O 3.48Å; R351-L1155 PolarHBondContact NE-O 3.13Å; R351-E1160 WeakPolarHBondContact CG-OE1 3.3Å; R351-E1160 IonicContact CZ-OE1 2.83Å; R351-E1160 IonicContact CZ-OE2 3.76Å; R351-E1160 IonicContact NE-OE1 2.75Å; R351-E1160 PolarHBondContact NE-OE1 3.24Å; R351-E1160 IonicContact NE-OE2 3.91Å; R351-E1160 IonicContact NH2-OE1 2.75Å; R351-E1160 IonicContact NH2-OE2 2.7Å; R351-E1160 PolarHBondContact NH2-OE2 3.43Å
352S95Very high87.9Confident0 Ų028.5 Ų28.50%013%0.13CC..Hα-helixtrans-65.3-39.2175.887.90000111.8Y348 S349 L350 K355 H356 F428 F1153Y348-S352 PolarHBondContact O-N 2.91Å; S349-S352 WeakPolarHBondContact O-CA 3.45Å; S349-S352 VanDerWaalsContact O-CB 3.31Å; S349-S352 WeakPolarHBondContact O-CB 3.42Å; S349-S352 PolarHBondContact O-N 2.76Å; S349-S352 PolarHBondContact O-OG 2.94Å; L350-S352 VanDerWaalsContact C-N 3.32Å; S352-K355 PolarHBondContact O-N 2.81Å; S352-H356 WeakPolarHBondContact O-CB 3.34Å; S352-H356 PolarHBondContact O-N 2.99Å; S352-F428 PolarHBondContact OG-N 3.01Å; S352-F1153 VanDerWaalsContact CB-CE1 3.47Å
353V92Very high89.2Confident0 Ų025.6 Ų25.60%012%0.115CC..Hα-helixtrans-60.5-53.9172.8175.40000111Y94 S349 L350 K355 H356 A357 V360 I363 F428Y94-V353 HydrophobicContact CE2-CG2 4.43Å; Y94-V353 WeakPolarHBondContact OH-CG2 3.44Å; S349-V353 PolarHBondContact O-N 3.17Å; L350-V353 PolarHBondContact O-N 2.94Å; V353-K355 PolarHBondContact O-N 3.28Å; V353-H356 PolarHBondContact O-N 3.34Å; V353-A357 CarbonylContact O-C 3.54Å; V353-A357 VanDerWaalsContact O-CA 3.29Å; V353-A357 WeakPolarHBondContact O-CA 3.19Å; V353-A357 PolarHBondContact O-N 3.11Å; V353-V360 HydrophobicContact CG1-CB 4.22Å; V353-V360 HydrophobicContact CG1-CG1 4.38Å; V353-V360 HydrophobicContact CG1-CG2 4.2Å; V353-I363 HydrophobicContact CG1-CD1 3.98Å; V353-F428 HydrophobicContact CG2-CD2 4.15Å; V353-F428 HydrophobicContact CG2-CE2 3.98Å
354E88.8Confident90.2Very high51 Ų5124.9 Ų24.924%0.23811%0.11CC..Hα-helixtrans-64.1-30.4-176.9-170.969.316800112.7L350 R351 R381 Q1158 F1159L350-E354 PolarHBondContact O-N 3.49Å; L350-E354 VanDerWaalsContact O-N 3.09Å; R351-E354 PolarHBondContact O-N 3.11Å; E354-R381 IonicContact OE1-NH1 2.68Å; E354-R381 PolarHBondContact OE1-NH1 2.94Å; E354-R381 IonicContact OE2-CZ 2.82Å; E354-R381 IonicContact OE2-NH1 2.89Å; E354-R381 PolarHBondContact OE2-NH1 2.83Å; E354-R381 IonicContact OE2-NH2 3.33Å; E354-Q1158 WeakPolarHBondContact OE1-CG 3.38Å; E354-Q1158 PolarHBondContact OE1-NE2 3.44Å; E354-F1159 HydrophobicContact CB-CE2 4.02Å; E354-F1159 HydrophobicContact CG-CE2 4.46Å; E354-F1159 WeakPolarHBondContact OE2-CZ 3.37Å
355K87.8Confident90.8Very high100 Ų10022.7 Ų22.744%0.43510%0.1SC..Hα-helixtrans-81.8-42.4179.6-176.5-174.5171.2-147.80113.5R351 S352 V353 M1152 F1153R351-K355 WeakPolarHBondContact O-CB 3.34Å; R351-K355 PolarHBondContact O-N 3.18Å; S352-K355 PolarHBondContact O-N 2.81Å; V353-K355 PolarHBondContact O-N 3.28Å; K355-M1152 PolarHBondContact NZ-O 3.03Å; K355-F1153 HydrophobicContact CD-CD1 3.81Å; K355-F1153 HydrophobicContact CD-CE1 4.16Å
356H90Very high91.2Very high14 Ų1422 Ų227%0.06510%0.097CC..Hα-helixtrans-117.6-12.9-166.7-67.6-56.9000114.8S352 V353 P358 F428 K430 D431 V432 F1153S352-H356 WeakPolarHBondContact O-CB 3.34Å; S352-H356 PolarHBondContact O-N 2.99Å; V353-H356 PolarHBondContact O-N 3.34Å; H356-P358 VanDerWaalsContact C-CD 3.44Å; H356-F428 HydrophobicContact CB-CB 3.78Å; H356-F428 PolarHBondContact CD2-O 3.18Å; H356-K430 WeakPolarHBondContact CB-O 3.12Å; H356-D431 IonicContact CE1-OD1 3.61Å; H356-D431 IonicContact CG-OD1 3.12Å; H356-D431 PolarHBondContact ND1-N 2.6Å; H356-D431 IonicContact ND1-OD1 2.75Å; H356-D431 PolarHBondContact ND1-OD1 3.17Å; H356-V432 PolarHBondContact O-N 3.36Å; H356-F1153 AromaticContact CD2-CE1 3.95Å
357A88.1Confident91.2Very high0 Ų022 Ų220%010%0.097CC..  trans-131.749.1174.400000112.4V353 W359 V360 F428 V432V353-A357 CarbonylContact O-C 3.54Å; V353-A357 VanDerWaalsContact O-CA 3.29Å; V353-A357 WeakPolarHBondContact O-CA 3.19Å; V353-A357 PolarHBondContact O-N 3.11Å; A357-W359 HydrophobicContact CB-CZ2 4.08Å; A357-W359 PolarHBondContact O-N 3.05Å; A357-V360 HydrophobicContact CB-CG2 4.05Å; A357-V360 WeakPolarHBondContact O-CB 3.05Å; A357-V360 WeakPolarHBondContact O-CG2 3.34Å; A357-V360 PolarHBondContact O-N 3.48Å; A357-F428 HydrophobicContact CB-CD2 4.39Å; A357-F428 HydrophobicContact CB-CE2 4.29Å; A357-V432 HydrophobicContact CB-CG2 3.84Å
358P82.7Confident91Very high47 Ų4722.6 Ų22.631%0.30510%0.102SC..THydrogen-bonded Turntrans-66-11.1-171.130-38.3000114.4Y71 H356 V360Y71-P358 WeakPolarHBondContact OH-CB 2.98Å; Y71-P358 PolarHBondContact OH-O 3.45Å; H356-P358 VanDerWaalsContact C-CD 3.44Å; P358-V360 VanDerWaalsContact C-N 3.28Å; P358-V360 PolarHBondContact O-N 2.88Å
359W81.7Confident90.8Very high54 Ų5423.1 Ų23.121%0.20511%0.108CC..THydrogen-bonded Turntrans-75-8.7173.249.9-100.1000114.3I90 A357 R361 I420 V432 P434 F437I90-W359 HydrophobicContact CB-CE3 4.49Å; I90-W359 HydrophobicContact CB-CZ3 3.96Å; I90-W359 HydrophobicContact CD1-CZ3 3.99Å; I90-W359 HydrophobicContact CG2-CZ3 3.85Å; A357-W359 HydrophobicContact CB-CZ2 4.08Å; A357-W359 PolarHBondContact O-N 3.05Å; W359-R361 PolarHBondContact O-N 3.38Å; W359-I420 HydrophobicContact CH2-CD1 3.72Å; W359-I420 HydrophobicContact CZ3-CD1 4.29Å; W359-V432 HydrophobicContact CZ2-CG2 4.31Å; W359-V432 PolarHBondContact NE1-O 2.99Å; W359-P434 HydrophobicContact CD2-CG 4.06Å; W359-P434 HydrophobicContact CE3-CG 4.04Å; W359-P434 HydrophobicContact CH2-CG 4.31Å; W359-P434 HydrophobicContact CZ2-CG 4.32Å; W359-P434 HydrophobicContact CZ3-CG 4.18Å; W359-F437 HydrophobicContact CH2-CE2 4.25Å; W359-F437 HydrophobicContact CZ2-CE2 4.4Å
360V87.6Confident90.6Very high3 Ų323.3 Ų23.32%0.01811%0.109CC..  trans-61.6124.4175168.50000110V92 V353 A357 P358 H362 I363 R381V92-V360 HydrophobicContact CB-CG1 4.01Å; V92-V360 HydrophobicContact CG2-CB 4.37Å; V92-V360 HydrophobicContact CG2-CG1 3.68Å; V92-V360 HydrophobicContact CG2-CG2 3.7Å; V353-V360 HydrophobicContact CG1-CB 4.22Å; V353-V360 HydrophobicContact CG1-CG1 4.38Å; V353-V360 HydrophobicContact CG1-CG2 4.2Å; A357-V360 HydrophobicContact CB-CG2 4.05Å; A357-V360 WeakPolarHBondContact O-CB 3.05Å; A357-V360 WeakPolarHBondContact O-CG2 3.34Å; A357-V360 PolarHBondContact O-N 3.48Å; P358-V360 VanDerWaalsContact C-N 3.28Å; P358-V360 PolarHBondContact O-N 2.88Å; V360-H362 WeakPolarHBondContact CG1-O 3.26Å; V360-I363 HydrophobicContact CG1-CG1 4.19Å; V360-R381 PolarHBondContact O-NH2 2.84Å
361R86.7Confident90.4Very high112 Ų11223.6 Ų23.642%0.42311%0.11SC..  trans-67.7-61-177.5177.1-17670.6145.96.5111.1I90 D91 W359 R381 G414I90-R361 PolarHBondContact O-N 2.9Å; D91-R361 VanDerWaalsContact CG-NH2 3.3Å; D91-R361 WeakPolarHBondContact OD1-CB 3.44Å; D91-R361 IonicContact OD1-CZ 3.51Å; D91-R361 IonicContact OD1-NE 2.63Å; D91-R361 PolarHBondContact OD1-NE 3.15Å; D91-R361 IonicContact OD1-NH2 2.73Å; D91-R361 PolarHBondContact OD1-NH2 2.75Å; D91-R361 VanDerWaalsContact OD1-NH2 3.13Å; D91-R361 IonicContact OD2-CZ 3.52Å; D91-R361 IonicContact OD2-NE 3.26Å; D91-R361 IonicContact OD2-NH2 3.49Å; D91-R361 PolarHBondContact OD2-NH2 3.45Å; W359-R361 PolarHBondContact O-N 3.38Å; R361-R381 PolarHBondContact O-NE 3.43Å; R361-G414 PolarHBondContact NH2-O 3.33Å
362H91.5Very high90.3Very high32 Ų3223.1 Ų23.115%0.14811%0.109CC..  trans-136.2154.8-171-154.692.7000110.9D91 V92 V360 F364 P380 R381 T383D91-H362 CarbonylContact C-O 3.52Å; D91-H362 WeakPolarHBondContact CA-O 3.03Å; D91-H362 HydrophobicContact CB-CB 4.44Å; D91-H362 WeakPolarHBondContact CB-O 3.29Å; D91-H362 VanDerWaalsContact OD1-CB 3.3Å; D91-H362 WeakPolarHBondContact OD1-CB 3.04Å; D91-H362 PolarHBondContact OD1-N 3.08Å; V92-H362 PolarHBondContact N-O 2.79Å; V360-H362 WeakPolarHBondContact CG1-O 3.26Å; H362-F364 HydrophobicContact CB-CE2 4.16Å; H362-F364 AromaticContact CD2-CD2 3.95Å; H362-F364 AromaticContact CD2-CE1 3.7Å; H362-F364 AromaticContact CD2-CE2 3.57Å; H362-F364 AromaticContact CD2-CZ 3.44Å; H362-F364 VanDerWaalsContact CD2-CZ 3.44Å; H362-F364 WeakPolarHBondContact CD2-CZ 3.16Å; H362-F364 AromaticContact NE2-CE1 3.91Å; H362-P380 PolarHBondContact CE1-O 3.21Å; H362-P380 PolarHBondContact ND1-O 2.65Å; H362-R381 CarbonylContact C-O 3.46Å; H362-T383 PolarHBondContact NE2-OG1 3.39Å
363I95Very high90Very high0 Ų025 Ų250%012%0.122CC..EExtended strand (participates in β ladder)trans-123.3118.7177.9-53.7-175.9000109.2V92 Y94 L350 V353 V360 I365 R381 V382 T383 F1159V92-I363 HydrophobicContact CG1-CG2 4.38Å; V92-I363 WeakPolarHBondContact O-CA 3.39Å; Y94-I363 HydrophobicContact CD2-CG2 3.87Å; Y94-I363 HydrophobicContact CE2-CG2 4.05Å; L350-I363 HydrophobicContact CD2-CD1 3.9Å; L350-I363 HydrophobicContact CD2-CG2 3.81Å; V353-I363 HydrophobicContact CG1-CD1 3.98Å; V360-I363 HydrophobicContact CG1-CG1 4.19Å; I363-I365 HydrophobicContact CG2-CG1 4.3Å; I363-R381 PolarHBondContact N-O 3.31Å; I363-V382 CarbonylContact O-C 3.52Å; I363-V382 WeakPolarHBondContact O-CA 3.24Å; I363-T383 PolarHBondContact O-N 3.1Å; I363-F1159 HydrophobicContact CD1-CD2 4.1Å; I363-F1159 HydrophobicContact CD1-CE1 4.25Å; I363-F1159 HydrophobicContact CD1-CE2 3.5Å; I363-F1159 VanDerWaalsContact CD1-CE2 3.5Å; I363-F1159 HydrophobicContact CD1-CZ 3.57Å
364F96.9Very high89.9Confident11 Ų1125.8 Ų25.85%0.04813%0.125CC..EExtended strand (participates in β ladder)trans-100.4139.6171.6-60.5-86.2000110D91 V92 V93 Y94 H362 T383 V385 I412 L415D91-F364 HydrophobicContact CB-CD2 4.25Å; D91-F364 HydrophobicContact CB-CE2 4.03Å; V92-F364 PolarHBondContact O-N 3.32Å; V93-F364 CarbonylContact C-O 3.57Å; V93-F364 WeakPolarHBondContact CA-O 3.04Å; V93-F364 HydrophobicContact CG1-CB 4.46Å; V93-F364 HydrophobicContact CG2-CB 4.29Å; V93-F364 HydrophobicContact CG2-CD2 4.39Å; Y94-F364 PolarHBondContact N-O 3.42Å; H362-F364 HydrophobicContact CB-CE2 4.16Å; H362-F364 AromaticContact CD2-CD2 3.95Å; H362-F364 AromaticContact CD2-CE1 3.7Å; H362-F364 AromaticContact CD2-CE2 3.57Å; H362-F364 AromaticContact CD2-CZ 3.44Å; H362-F364 VanDerWaalsContact CD2-CZ 3.44Å; H362-F364 WeakPolarHBondContact CD2-CZ 3.16Å; H362-F364 AromaticContact NE2-CE1 3.91Å; F364-T383 CarbonylContact C-O 3.54Å; F364-T383 VanDerWaalsContact CA-O 3.31Å; F364-T383 WeakPolarHBondContact CA-O 3.11Å; F364-T383 HydrophobicContact CD1-CG2 4.38Å; F364-V385 HydrophobicContact CB-CG2 4.4Å; F364-V385 HydrophobicContact CD1-CG2 3.88Å; F364-I412 HydrophobicContact CB-CD1 4.19Å; F364-I412 HydrophobicContact CD1-CG2 3.54Å; F364-I412 HydrophobicContact CD2-CG2 4.44Å; F364-I412 HydrophobicContact CE1-CG2 3.71Å; F364-I412 HydrophobicContact CG-CG2 3.93Å; F364-I412 HydrophobicContact CZ-CG2 4.25Å; F364-L415 HydrophobicContact CD2-CD1 3.66Å; F364-L415 HydrophobicContact CE2-CB 4.46Å; F364-L415 HydrophobicContact CE2-CD1 3.68Å
365I95.9Very high90Very high0 Ų023.4 Ų23.40%011%0.113CC..EExtended strand (participates in β ladder)trans-125.2106.6178.3-52.5174.1000107.7W96 L346 L350 I363 T367 L375 V382 T383 V384 V385W96-I365 HydrophobicContact CB-CG2 4.21Å; L346-I365 HydrophobicContact CD2-CD1 4.45Å; L346-I365 HydrophobicContact CD2-CG2 4.17Å; L350-I365 HydrophobicContact CD1-CD1 4.33Å; I363-I365 HydrophobicContact CG2-CG1 4.3Å; I365-T367 HydrophobicContact CG2-CG2 3.94Å; I365-L375 HydrophobicContact CD1-CD1 3.95Å; I365-L375 HydrophobicContact CD1-CD2 3.89Å; I365-V382 HydrophobicContact CD1-CG1 4.16Å; I365-T383 PolarHBondContact N-O 3.04Å; I365-V384 HydrophobicContact CB-CG2 4.46Å; I365-V384 CarbonylContact O-C 3.55Å; I365-V384 WeakPolarHBondContact O-CA 3.37Å; I365-V385 PolarHBondContact O-N 3.37Å
366V95.3Very high90.1Very high1 Ų120.5 Ų20.51%0.00610%0.103CC..EExtended strand (participates in β ladder)trans-84.4124.2-179.2-178.80000109.4V93 Y94 T95 W96 V385 I390 I405 I409 I412V93-V366 HydrophobicContact CG1-CG2 3.89Å; Y94-V366 WeakPolarHBondContact O-CB 3Å; Y94-V366 PolarHBondContact O-N 2.89Å; T95-V366 WeakPolarHBondContact CA-O 3.31Å; T95-V366 HydrophobicContact CG2-CB 4.16Å; T95-V366 HydrophobicContact CG2-CG1 4.45Å; W96-V366 PolarHBondContact N-O 3.06Å; V366-V385 WeakPolarHBondContact CA-O 3.42Å; V366-I390 HydrophobicContact CG1-CD1 3.83Å; V366-I405 HydrophobicContact CG1-CG2 4.06Å; V366-I409 HydrophobicContact CG2-CG2 4.39Å; V366-I412 HydrophobicContact CG2-CD1 3.77Å
367T92.6Very high90Very high0 Ų021.7 Ų21.70%011%0.109CC..EExtended strand (participates in β ladder)trans-142.2166.3-178.178.20000111.8W96 I365 G369 Q370 V384 V385 T386 H387W96-T367 HydrophobicContact CE3-CG2 3.83Å; I365-T367 HydrophobicContact CG2-CG2 3.94Å; T367-G369 PolarHBondContact O-N 3.42Å; T367-G369 PolarHBondContact OG1-N 2.86Å; T367-Q370 PolarHBondContact OG1-N 3.44Å; T367-Q370 VanDerWaalsContact OG1-N 3.08Å; T367-Q370 PolarHBondContact OG1-O 2.85Å; T367-V384 HydrophobicContact CG2-CG1 4.14Å; T367-V385 PolarHBondContact N-O 3.04Å; T367-T386 WeakPolarHBondContact O-CA 3.48Å; T367-H387 PolarHBondContact O-CD2 2.99Å; T367-H387 PolarHBondContact O-N 3.48Å; T367-H387 VanDerWaalsContact O-N 3.15Å
368N88Confident89.8Confident37 Ų3726.3 Ų26.320%0.19813%0.134CC..SBendtrans-77.348.4167.5-158.248.3000111.6E107 Q370 H387E107-N368 PolarHBondContact OE2-ND2 2.96Å; N368-Q370 PolarHBondContact O-N 3.39Å; N368-H387 PolarHBondContact OD1-ND1 3.47Å
369G87.9Confident90Very high14 Ų1424.5 Ų24.514%0.14412%0.122CC..SBendtrans77.3-2.6-17700000115.7T367 H1171 M1172T367-G369 PolarHBondContact O-N 3.42Å; T367-G369 PolarHBondContact OG1-N 2.86Å; G369-H1171 CarbonylContact O-C 3.25Å; G369-H1171 WeakPolarHBondContact O-CA 3.34Å; G369-M1172 WeakPolarHBondContact O-CB 3.45Å; G369-M1172 PolarHBondContact O-N 3.23Å
370Q90.4Very high90.3Very high3 Ų326.3 Ų26.31%0.01414%0.141CC..BIsolated β-bridgetrans-77.2153.2-179.3-61.5173-24.600112.7W96 N98 D101 T367 N368 L1170W96-Q370 HydrophobicContact CZ3-CB 3.96Å; N98-Q370 PolarHBondContact O-NE2 2.72Å; D101-Q370 PolarHBondContact OD2-NE2 3.45Å; T367-Q370 PolarHBondContact OG1-N 3.44Å; T367-Q370 VanDerWaalsContact OG1-N 3.08Å; T367-Q370 PolarHBondContact OG1-O 2.85Å; N368-Q370 PolarHBondContact O-N 3.39Å; Q370-L1170 CarbonylContact C-O 3.59Å
371I91.1Very high90.3Very high6 Ų628.5 Ų28.53%0.03115%0.148CC..  trans-127.9124.8-179.6-59.9176.3000109.7S373 L377 N1167 L1170 M1172 L1175I371-S373 PolarHBondContact O-N 3.31Å; I371-L377 HydrophobicContact CD1-CD1 4.17Å; I371-L377 HydrophobicContact CG2-CD1 3.93Å; I371-L377 HydrophobicContact CG2-CD2 4.26Å; I371-L377 HydrophobicContact CG2-CG 4.37Å; I371-N1167 HydrophobicContact CG2-CB 4.49Å; I371-L1170 PolarHBondContact N-O 2.86Å; I371-M1172 HydrophobicContact CD1-CE 4.28Å; I371-M1172 HydrophobicContact CG1-CE 4.46Å; I371-L1175 HydrophobicContact CD1-CB 4.44Å; I371-L1175 HydrophobicContact CD1-CD2 3.98Å
372P90.9Very high90.5Very high1 Ų123.7 Ų23.71%0.00613%0.132CC..  trans-62132.5174.2-16.326.3000111.7W96 L346 W374 L375 N1167W96-P372 HydrophobicContact CD2-CG 4.19Å; W96-P372 HydrophobicContact CE3-CG 3.91Å; W96-P372 HydrophobicContact CH2-CB 3.9Å; W96-P372 HydrophobicContact CH2-CG 3.69Å; W96-P372 HydrophobicContact CZ2-CB 4.09Å; W96-P372 HydrophobicContact CZ2-CG 4.01Å; W96-P372 HydrophobicContact CZ3-CB 4.36Å; W96-P372 HydrophobicContact CZ3-CG 3.66Å; L346-P372 HydrophobicContact CD2-CG 4.12Å; P372-W374 HydrophobicContact CB-CD2 4.25Å; P372-W374 HydrophobicContact CB-CH2 4.4Å; P372-W374 HydrophobicContact CB-CZ2 3.79Å; P372-W374 HydrophobicContact CG-CZ2 4.32Å; P372-W374 PolarHBondContact O-N 3.22Å; P372-L375 HydrophobicContact CB-CB 4.12Å; P372-L375 HydrophobicContact CG-CB 4.32Å; P372-L375 HydrophobicContact CG-CD2 4.33Å; P372-L375 WeakPolarHBondContact O-CB 3.48Å; P372-L375 PolarHBondContact O-N 2.86Å; P372-L375 VanDerWaalsContact O-N 3.11Å; P372-N1167 PolarHBondContact O-ND2 2.64Å
373S88.8Confident90.7Very high39 Ų3925 Ų2527%0.27314%0.142SC..THydrogen-bonded Turntrans-64.4-16.9-171.470.80000115I371 R1166 N1167I371-S373 PolarHBondContact O-N 3.31Å; S373-R1166 CarbonylContact O-C 3.43Å; S373-R1166 VanDerWaalsContact O-CA 3.28Å; S373-R1166 WeakPolarHBondContact O-CA 3.35Å; S373-R1166 WeakPolarHBondContact O-CB 3.45Å; S373-N1167 PolarHBondContact O-N 2.84Å
374W89.7Confident90.6Very high17 Ų1725.7 Ų25.76%0.06415%0.146CC..THydrogen-bonded Turntrans-100.9-5.3-179.952.1-103.4000114.2L346 R347 L350 P372 E1160 L1161L346-W374 HydrophobicContact CB-CZ2 4.31Å; L346-W374 HydrophobicContact CD2-CH2 4.15Å; L346-W374 HydrophobicContact CD2-CZ2 4.15Å; L346-W374 HydrophobicContact CG-CH2 4.11Å; L346-W374 HydrophobicContact CG-CZ2 4.23Å; R347-W374 HydrophobicContact CB-CD2 4.24Å; R347-W374 HydrophobicContact CB-CE3 4.46Å; R347-W374 HydrophobicContact CB-CH2 3.91Å; R347-W374 HydrophobicContact CB-CZ2 3.61Å; R347-W374 HydrophobicContact CB-CZ3 4.31Å; R347-W374 HydrophobicContact CG-CD2 3.96Å; R347-W374 HydrophobicContact CG-CE3 4.01Å; R347-W374 HydrophobicContact CG-CH2 4.27Å; R347-W374 HydrophobicContact CG-CZ2 4.2Å; R347-W374 HydrophobicContact CG-CZ3 4.16Å; L350-W374 HydrophobicContact CD1-CH2 3.79Å; L350-W374 HydrophobicContact CD1-CZ3 3.92Å; P372-W374 HydrophobicContact CB-CD2 4.25Å; P372-W374 HydrophobicContact CB-CH2 4.4Å; P372-W374 HydrophobicContact CB-CZ2 3.79Å; P372-W374 HydrophobicContact CG-CZ2 4.32Å; P372-W374 PolarHBondContact O-N 3.22Å; W374-E1160 HydrophobicContact CE3-CG 4Å; W374-E1160 HydrophobicContact CZ3-CG 4.36Å; W374-L1161 PolarHBondContact O-N 3.24Å
375L92.1Very high90.5Very high0 Ų025.6 Ų25.60%015%0.146CC..BIsolated β-bridgetrans-77.4131.5-170.1-171.972.6000113L350 I365 P372 L377 V382 V384 N1167L350-L375 HydrophobicContact CD1-CD1 4.06Å; I365-L375 HydrophobicContact CD1-CD1 3.95Å; I365-L375 HydrophobicContact CD1-CD2 3.89Å; P372-L375 HydrophobicContact CB-CB 4.12Å; P372-L375 HydrophobicContact CG-CB 4.32Å; P372-L375 HydrophobicContact CG-CD2 4.33Å; P372-L375 WeakPolarHBondContact O-CB 3.48Å; P372-L375 PolarHBondContact O-N 2.86Å; P372-L375 VanDerWaalsContact O-N 3.11Å; L375-L377 HydrophobicContact CD2-CD2 3.97Å; L375-L377 PolarHBondContact O-N 2.95Å; L375-L377 VanDerWaalsContact O-N 3.12Å; L375-V382 HydrophobicContact CD1-CG1 4.27Å; L375-V382 HydrophobicContact CD2-CG1 4.25Å; L375-V382 HydrophobicContact CG-CG1 4.48Å; L375-V384 HydrophobicContact CD2-CG2 3.54Å; L375-N1167 PolarHBondContact O-ND2 2.82Å; L375-N1167 PolarHBondContact O-OD1 3.21Å
376N88.3Confident90.4Very high39 Ų3926.2 Ų26.221%0.20915%0.15CC..  trans-80.689.2177.1-176.69.1000112D378 N379 Q1158 F1159 L1161N376-D378 PolarHBondContact O-N 2.78Å; N376-D378 PolarHBondContact OD1-N 3Å; N376-N379 HydrophobicContact CB-CB 4.49Å; N376-N379 WeakPolarHBondContact O-CB 3.37Å; N376-N379 PolarHBondContact O-N 3.41Å; N376-Q1158 PolarHBondContact ND2-O 3.17Å; N376-F1159 WeakPolarHBondContact CB-O 2.97Å; N376-F1159 PolarHBondContact N-O 3.12Å; N376-L1161 HydrophobicContact CB-CD2 4.16Å
377L88.1Confident90.3Very high39 Ų3926.4 Ų26.420%0.20415%0.151CC..THydrogen-bonded Turntrans-69.2-9179.3-65.5176.2000115.4I371 L375 V384 L1175I371-L377 HydrophobicContact CD1-CD1 4.17Å; I371-L377 HydrophobicContact CG2-CD1 3.93Å; I371-L377 HydrophobicContact CG2-CD2 4.26Å; I371-L377 HydrophobicContact CG2-CG 4.37Å; L375-L377 HydrophobicContact CD2-CD2 3.97Å; L375-L377 PolarHBondContact O-N 2.95Å; L375-L377 VanDerWaalsContact O-N 3.12Å; L377-V384 HydrophobicContact CD2-CG2 4.01Å; L377-L1175 HydrophobicContact CD1-CD2 3.77Å
378D85.5Confident90.2Very high97 Ų9730.4 Ų30.452%0.51917%0.17SC..THydrogen-bonded Turntrans-89.4-6.3175.1-88.919.2000112.1R61 N376R61-D378 IonicContact CZ-OD2 3.35Å; R61-D378 IonicContact NH1-OD2 3.64Å; R61-D378 PolarHBondContact NH1-OD2 3.42Å; R61-D378 IonicContact NH2-OD2 3.21Å; N376-D378 PolarHBondContact O-N 2.78Å; N376-D378 PolarHBondContact OD1-N 3Å
379N86.3Confident90.4Very high9 Ų932.4 Ų32.45%0.04818%0.181CC..  trans-76.9120.3177.3-169.3-44.3000111.1N376 R381 V382 Q1158N376-N379 HydrophobicContact CB-CB 4.49Å; N376-N379 WeakPolarHBondContact O-CB 3.37Å; N376-N379 PolarHBondContact O-N 3.41Å; N379-R381 PolarHBondContact O-N 3.3Å; N379-R381 VanDerWaalsContact O-N 3.17Å; N379-R381 WeakPolarHBondContact OD1-CB 3.33Å; N379-R381 PolarHBondContact OD1-N 2.97Å; N379-V382 PolarHBondContact O-N 2.92Å; N379-Q1158 PolarHBondContact ND2-O 2.9Å; N379-Q1158 PolarHBondContact ND2-OE1 3.3Å
380P87.6Confident90.7Very high92 Ų9232 Ų3260%0.59718%0.175SC*.THydrogen-bonded Turntrans-70.3-10-175.829.8-36.8000114.9H362H362-P380 PolarHBondContact CE1-O 3.21Å; H362-P380 PolarHBondContact ND1-O 2.65Å
381R86.9Confident90.9Very high49 Ų4932.2 Ų32.219%0.18518%0.176CC..THydrogen-bonded Turntrans-86.3-2.3173.9-70.4176.668.9-147.43.3113.5E354 V360 R361 H362 I363 N379 F1159E354-R381 IonicContact OE1-NH1 2.68Å; E354-R381 PolarHBondContact OE1-NH1 2.94Å; E354-R381 IonicContact OE2-CZ 2.82Å; E354-R381 IonicContact OE2-NH1 2.89Å; E354-R381 PolarHBondContact OE2-NH1 2.83Å; E354-R381 IonicContact OE2-NH2 3.33Å; V360-R381 PolarHBondContact O-NH2 2.84Å; R361-R381 PolarHBondContact O-NE 3.43Å; H362-R381 CarbonylContact C-O 3.46Å; I363-R381 PolarHBondContact N-O 3.31Å; N379-R381 PolarHBondContact O-N 3.3Å; N379-R381 VanDerWaalsContact O-N 3.17Å; N379-R381 WeakPolarHBondContact OD1-CB 3.33Å; N379-R381 PolarHBondContact OD1-N 2.97Å; R381-F1159 HydrophobicContact CB-CE1 4.07Å
382V92.6Very high90.8Very high12 Ų1238.5 Ų38.57%0.07321%0.209CC..EExtended strand (participates in β ladder)trans-119.9141.4-177177.80000110.7I363 I365 L375 N379 F1159I363-V382 CarbonylContact O-C 3.52Å; I363-V382 WeakPolarHBondContact O-CA 3.24Å; I365-V382 HydrophobicContact CD1-CG1 4.16Å; L375-V382 HydrophobicContact CD1-CG1 4.27Å; L375-V382 HydrophobicContact CD2-CG1 4.25Å; L375-V382 HydrophobicContact CG-CG1 4.48Å; N379-V382 PolarHBondContact O-N 2.92Å; V382-F1159 HydrophobicContact CG2-CB 4.12Å; V382-F1159 HydrophobicContact CG2-CD1 3.26Å; V382-F1159 HydrophobicContact CG2-CE1 3.86Å; V382-F1159 HydrophobicContact CG2-CG 3.87Å
383T93.8Very high90.7Very high59 Ų5941.8 Ų41.836%0.36223%0.226SC..EExtended strand (participates in β ladder)trans-145.6121.1170.8-58.70000111H362 I363 F364 I365 V385H362-T383 PolarHBondContact NE2-OG1 3.39Å; I363-T383 PolarHBondContact O-N 3.1Å; F364-T383 CarbonylContact C-O 3.54Å; F364-T383 VanDerWaalsContact CA-O 3.31Å; F364-T383 WeakPolarHBondContact CA-O 3.11Å; F364-T383 HydrophobicContact CD1-CG2 4.38Å; I365-T383 PolarHBondContact N-O 3.04Å; T383-V385 HydrophobicContact CG2-CG2 4.14Å
384V94.4Very high90.8Very high14 Ų1447.3 Ų47.39%0.08524%0.241CC..EExtended strand (participates in β ladder)trans-79.8129.7168.5179.50000108.3I365 T367 L375 L377 M1172I365-V384 HydrophobicContact CB-CG2 4.46Å; I365-V384 CarbonylContact O-C 3.55Å; I365-V384 WeakPolarHBondContact O-CA 3.37Å; T367-V384 HydrophobicContact CG2-CG1 4.14Å; L375-V384 HydrophobicContact CD2-CG2 3.54Å; L377-V384 HydrophobicContact CD2-CG2 4.01Å; V384-M1172 HydrophobicContact CB-CE 3.67Å; V384-M1172 HydrophobicContact CG1-CE 3.79Å
385V94.9Very high90.8Very high9 Ų949.9 Ų49.96%0.05526%0.262CS..EExtended strand (participates in β ladder)trans-120.5136.4-176.8-176.40000108.2F364 I365 V366 T367 T383 D389 I390 I412F364-V385 HydrophobicContact CB-CG2 4.4Å; F364-V385 HydrophobicContact CD1-CG2 3.88Å; I365-V385 PolarHBondContact O-N 3.37Å; V366-V385 WeakPolarHBondContact CA-O 3.42Å; T367-V385 PolarHBondContact N-O 3.04Å; T383-V385 HydrophobicContact CG2-CG2 4.14Å; V385-D389 HydrophobicContact CG1-CB 3.81Å; V385-I390 HydrophobicContact CG1-CG2 3.91Å; V385-I412 HydrophobicContact CG1-CG1 4.4Å; V385-I412 HydrophobicContact CG2-CG2 4.13Å
386T93.7Very high90.8Very high13 Ų1350.7 Ų50.78%0.0827%0.265CS..EExtended strand (participates in β ladder)trans-92.2158179.977.70000111.5T367 Q388 D389 M1172T367-T386 WeakPolarHBondContact O-CA 3.48Å; T386-Q388 PolarHBondContact O-N 3.09Å; T386-Q388 PolarHBondContact OG1-N 3.32Å; T386-D389 WeakPolarHBondContact CA-OD2 3.4Å; T386-D389 VanDerWaalsContact CB-OD2 3.31Å; T386-D389 WeakPolarHBondContact CB-OD2 3.38Å; T386-D389 PolarHBondContact N-OD2 2.8Å; T386-D389 WeakPolarHBondContact O-CB 3.38Å; T386-D389 PolarHBondContact O-N 2.85Å; T386-D389 VanDerWaalsContact OG1-CG 3.28Å; T386-D389 PolarHBondContact OG1-N 2.83Å; T386-D389 PolarHBondContact OG1-OD2 3.08Å; T386-M1172 HydrophobicContact CG2-CB 4.01Å; T386-M1172 HydrophobicContact CG2-CG 3.88Å
387H93.2Very high90.9Very high6 Ų650.2 Ų50.23%0.02826%0.263CS..Hα-helixtrans-53.9-33.3169.4-58.9158.2000112.4T367 N368 D389 I390 F391 L397T367-H387 PolarHBondContact O-CD2 2.99Å; T367-H387 PolarHBondContact O-N 3.48Å; T367-H387 VanDerWaalsContact O-N 3.15Å; N368-H387 PolarHBondContact OD1-ND1 3.47Å; H387-D389 PolarHBondContact O-N 3.49Å; H387-I390 PolarHBondContact O-N 3.34Å; H387-F391 HydrophobicContact CB-CD2 4.33Å; H387-F391 HydrophobicContact CB-CE2 4.48Å; H387-F391 WeakPolarHBondContact O-CD2 3.36Å; H387-F391 PolarHBondContact O-N 2.97Å; H387-F391 VanDerWaalsContact O-N 3.11Å; H387-L397 HydrophobicContact CB-CD1 4.12Å; H387-L397 HydrophobicContact CB-CD2 3.84Å
388Q91.1Very high91Very high84 Ų8450.3 Ų50.339%0.39327%0.266SS..Hα-helixtrans-67.9-15.1178.8-56-173.240.800114.4T386 R394 L397T386-Q388 PolarHBondContact O-N 3.09Å; T386-Q388 PolarHBondContact OG1-N 3.32Å; Q388-R394 PolarHBondContact O-NH2 3.38Å; Q388-L397 HydrophobicContact CB-CD1 4.27Å; Q388-L397 HydrophobicContact CG-CD1 3.89Å
389D91.5Very high91.1Very high79 Ų7945.7 Ų45.742%0.42224%0.241SC..Hα-helixtrans-90.5-17.6179.5-58.6-56.7000113V385 T386 H387V385-D389 HydrophobicContact CG1-CB 3.81Å; T386-D389 WeakPolarHBondContact CA-OD2 3.4Å; T386-D389 VanDerWaalsContact CB-OD2 3.31Å; T386-D389 WeakPolarHBondContact CB-OD2 3.38Å; T386-D389 PolarHBondContact N-OD2 2.8Å; T386-D389 WeakPolarHBondContact O-CB 3.38Å; T386-D389 PolarHBondContact O-N 2.85Å; T386-D389 VanDerWaalsContact OG1-CG 3.28Å; T386-D389 PolarHBondContact OG1-N 2.83Å; T386-D389 PolarHBondContact OG1-OD2 3.08Å; H387-D389 PolarHBondContact O-N 3.49Å
390I94.3Very high91.2Very high4 Ų445.4 Ų45.42%0.02124%0.239CC..Hα-helixtrans-117.7-25.3-174.765.1176.3000114.3V366 V385 H387 H408 I412V366-I390 HydrophobicContact CG1-CD1 3.83Å; V385-I390 HydrophobicContact CG1-CG2 3.91Å; H387-I390 PolarHBondContact O-N 3.34Å; I390-H408 HydrophobicContact CB-CB 4.25Å; I390-H408 HydrophobicContact CD1-CB 3.86Å; I390-H408 HydrophobicContact CG1-CB 3.93Å; I390-H408 PolarHBondContact O-CD2 3.1Å; I390-I412 HydrophobicContact CG2-CG1 3.67Å
391F94.1Very high91.1Very high8 Ų841 Ų414%0.03521%0.211CC..  trans-75.8123174.8-84.7-109.6000111.2H387 H396 L397 T399 A404 H408H387-F391 HydrophobicContact CB-CD2 4.33Å; H387-F391 HydrophobicContact CB-CE2 4.48Å; H387-F391 WeakPolarHBondContact O-CD2 3.36Å; H387-F391 PolarHBondContact O-N 2.97Å; H387-F391 VanDerWaalsContact O-N 3.11Å; F391-H396 HydrophobicContact CD1-CB 4.11Å; F391-H396 HydrophobicContact CE1-CB 4.36Å; F391-L397 HydrophobicContact CB-CD1 4.08Å; F391-L397 HydrophobicContact CB-CD2 4.3Å; F391-L397 HydrophobicContact CB-CG 4.17Å; F391-L397 HydrophobicContact CD1-CD2 3.85Å; F391-L397 HydrophobicContact CD1-CG 4.31Å; F391-L397 HydrophobicContact CD2-CD2 3.79Å; F391-L397 HydrophobicContact CE1-CD2 4.08Å; F391-L397 HydrophobicContact CE2-CD2 4.03Å; F391-L397 HydrophobicContact CG-CD1 4.36Å; F391-L397 HydrophobicContact CG-CD2 3.71Å; F391-L397 HydrophobicContact CG-CG 4.09Å; F391-L397 HydrophobicContact CZ-CD2 4.17Å; F391-T399 HydrophobicContact CE1-CG2 3.93Å; F391-T399 HydrophobicContact CE2-CG2 4.32Å; F391-T399 HydrophobicContact CZ-CG2 3.53Å; F391-A404 HydrophobicContact CZ-CB 4.41Å; F391-A404 VanDerWaalsContact CZ-O 3.26Å; F391-A404 WeakPolarHBondContact CZ-O 3.27Å; F391-H408 HydrophobicContact CD2-CB 4.26Å; F391-H408 HydrophobicContact CE2-CB 4.15Å; F391-H408 AromaticContact CE2-CG 3.97Å; F391-H408 AromaticContact CZ-ND1 3.89Å
392L88.8Confident91.2Very high138 Ų13838.9 Ų38.972%0.72320%0.204SC*.SBendtrans-69.3-47.5176.6-67.8176.5000111.2
393N90.3Very high91.1Very high70 Ų7038.3 Ų38.337%0.37420%0.2SC..  trans-95.1102.9176.9-169.1-2.4000110.6S395 H396N393-S395 PolarHBondContact ND2-OG 2.76Å; N393-S395 VanDerWaalsContact ND2-OG 3.1Å; N393-S395 PolarHBondContact O-N 3.06Å; N393-S395 VanDerWaalsContact O-N 3.17Å; N393-S395 PolarHBondContact OD1-N 3.09Å; N393-S395 PolarHBondContact OD1-OG 2.73Å; N393-H396 PolarHBondContact ND2-CD2 3.28Å; N393-H396 PolarHBondContact ND2-NE2 2.9Å; N393-H396 WeakPolarHBondContact O-CB 3.36Å; N393-H396 PolarHBondContact O-N 3.01Å; N393-H396 VanDerWaalsContact O-N 3.11Å
394R89.6Confident91.1Very high156 Ų15635.5 Ų35.559%0.58918%0.183SC*.G310 helixtrans-64.8-17-179.7-69.2-174169.9-148.4-11.3114.1Q388 H396 L397Q388-R394 PolarHBondContact O-NH2 3.38Å; R394-H396 PolarHBondContact O-N 2.79Å; R394-L397 PolarHBondContact O-N 2.03Å
395S90.3Very high91Very high71 Ų7135.2 Ų35.250%0.49718%0.18SC..G310 helixtrans-67.3-20.7173.765.80000113.3N393 L397 R961N393-S395 PolarHBondContact ND2-OG 2.76Å; N393-S395 VanDerWaalsContact ND2-OG 3.1Å; N393-S395 PolarHBondContact O-N 3.06Å; N393-S395 VanDerWaalsContact O-N 3.17Å; N393-S395 PolarHBondContact OD1-N 3.09Å; N393-S395 PolarHBondContact OD1-OG 2.73Å; S395-L397 PolarHBondContact O-N 3.1Å; S395-R961 PolarHBondContact O-NH1 3.45Å; S395-R961 PolarHBondContact O-NH2 3.33Å
396H91.1Very high91Very high16 Ų1635.7 Ų35.77%0.07418%0.182CC..G310 helixtrans-77.5-6.3177.8-60.5-175.8000112.8F391 N393 R394 D955 S958 R961F391-H396 HydrophobicContact CD1-CB 4.11Å; F391-H396 HydrophobicContact CE1-CB 4.36Å; N393-H396 PolarHBondContact ND2-CD2 3.28Å; N393-H396 PolarHBondContact ND2-NE2 2.9Å; N393-H396 WeakPolarHBondContact O-CB 3.36Å; N393-H396 PolarHBondContact O-N 3.01Å; N393-H396 VanDerWaalsContact O-N 3.11Å; R394-H396 PolarHBondContact O-N 2.79Å; H396-D955 IonicContact CE1-OD1 3.23Å; H396-D955 PolarHBondContact CE1-OD1 2.82Å; H396-S958 WeakPolarHBondContact CB-O 3.27Å; H396-S958 WeakPolarHBondContact ND1-CB 3.18Å; H396-S958 PolarHBondContact ND1-OG 2.78Å; H396-R961 VanDerWaalsContact C-NH1 3.29Å; H396-R961 PolarHBondContact O-NH1 3.26Å; H396-R961 VanDerWaalsContact O-NH1 3.15Å
397L90.8Very high90.9Very high29 Ų2935 Ų3515%0.15218%0.178CC..  trans-97.6150.6175.8-62.3-177.5000112.1H387 Q388 F391 R394 S395 T399 R961H387-L397 HydrophobicContact CB-CD1 4.12Å; H387-L397 HydrophobicContact CB-CD2 3.84Å; Q388-L397 HydrophobicContact CB-CD1 4.27Å; Q388-L397 HydrophobicContact CG-CD1 3.89Å; F391-L397 HydrophobicContact CB-CD1 4.08Å; F391-L397 HydrophobicContact CB-CD2 4.3Å; F391-L397 HydrophobicContact CB-CG 4.17Å; F391-L397 HydrophobicContact CD1-CD2 3.85Å; F391-L397 HydrophobicContact CD1-CG 4.31Å; F391-L397 HydrophobicContact CD2-CD2 3.79Å; F391-L397 HydrophobicContact CE1-CD2 4.08Å; F391-L397 HydrophobicContact CE2-CD2 4.03Å; F391-L397 HydrophobicContact CG-CD1 4.36Å; F391-L397 HydrophobicContact CG-CD2 3.71Å; F391-L397 HydrophobicContact CG-CG 4.09Å; F391-L397 HydrophobicContact CZ-CD2 4.17Å; R394-L397 PolarHBondContact O-N 2.03Å; S395-L397 PolarHBondContact O-N 3.1Å; L397-T399 HydrophobicContact CD2-CG2 4.11Å; L397-R961 PolarHBondContact O-NH1 2.67Å
398P90.1Very high91Very high42 Ų4235 Ų3527%0.27318%0.178SC..SBendcis-67.1153.7-10.431.7-35.9000111.5V111 F400 R961V111-P398 HydrophobicContact CG2-CG 4.38Å; P398-F400 HydrophobicContact CB-CE1 4.49Å; P398-F400 HydrophobicContact CB-CE2 4.39Å; P398-F400 HydrophobicContact CB-CZ 3.95Å; P398-F400 HydrophobicContact CG-CE2 4.48Å; P398-F400 HydrophobicContact CG-CZ 4.37Å; P398-R961 VanDerWaalsContact O-CD 3.25Å; P398-R961 WeakPolarHBondContact O-CD 3.25Å; P398-R961 PolarHBondContact O-NH1 2.94Å
399T88.1Confident91.2Very high0 Ų031 Ų310%016%0.16CC..  trans-132.6149.2167-177.70000110.5F391 L397 S401 A404 I405 H960 R961F391-T399 HydrophobicContact CE1-CG2 3.93Å; F391-T399 HydrophobicContact CE2-CG2 4.32Å; F391-T399 HydrophobicContact CZ-CG2 3.53Å; L397-T399 HydrophobicContact CD2-CG2 4.11Å; T399-S401 PolarHBondContact OG1-N 3.07Å; T399-A404 HydrophobicContact CG2-CB 4.08Å; T399-I405 HydrophobicContact CG2-CG1 4.06Å; T399-H960 PolarHBondContact OG1-O 2.85Å; T399-R961 PolarHBondContact OG1-O 2.91Å
400F87.4Confident91.4Very high3 Ų327.5 Ų27.51%0.01314%0.14CC..  trans-126.616.1-176.4-55.4-56.1000111.4L104 E107 L108 V111 P398 W871 R961 V962L104-F400 HydrophobicContact CD1-CD1 4.24Å; L104-F400 HydrophobicContact CD1-CE1 3.65Å; E107-F400 HydrophobicContact CB-CE2 4.38Å; E107-F400 HydrophobicContact CB-CZ 3.67Å; L108-F400 HydrophobicContact CD2-CB 4.08Å; L108-F400 HydrophobicContact CD2-CD1 3.84Å; L108-F400 HydrophobicContact CD2-CD2 3.6Å; L108-F400 HydrophobicContact CD2-CE1 4.19Å; L108-F400 HydrophobicContact CD2-CE2 3.94Å; L108-F400 HydrophobicContact CD2-CG 3.54Å; L108-F400 HydrophobicContact CD2-CZ 4.23Å; L108-F400 HydrophobicContact CG-CD1 4.36Å; L108-F400 HydrophobicContact CG-CD2 4.38Å; L108-F400 HydrophobicContact CG-CE1 4.25Å; L108-F400 HydrophobicContact CG-CE2 4.23Å; L108-F400 HydrophobicContact CG-CG 4.45Å; L108-F400 HydrophobicContact CG-CZ 4.18Å; V111-F400 HydrophobicContact CB-CD2 4.42Å; V111-F400 HydrophobicContact CB-CE2 4.14Å; V111-F400 HydrophobicContact CG1-CD2 4.47Å; V111-F400 HydrophobicContact CG2-CD2 4.31Å; V111-F400 HydrophobicContact CG2-CE2 3.76Å; P398-F400 HydrophobicContact CB-CE1 4.49Å; P398-F400 HydrophobicContact CB-CE2 4.39Å; P398-F400 HydrophobicContact CB-CZ 3.95Å; P398-F400 HydrophobicContact CG-CE2 4.48Å; P398-F400 HydrophobicContact CG-CZ 4.37Å; F400-W871 HydrophobicContact CB-CZ2 3.6Å; F400-W871 HydrophobicContact CD1-CH2 4.15Å; F400-W871 AromaticContact CD1-CZ2 3.81Å; F400-W871 HydrophobicContact CD1-CZ2 3.81Å; F400-W871 HydrophobicContact CG-CZ2 4.11Å; F400-W871 PolarHBondContact O-NE1 2.81Å; F400-R961 CarbonylContact C-O 3.54Å; F400-R961 WeakPolarHBondContact CA-O 3.04Å; F400-R961 WeakPolarHBondContact CB-O 3.37Å; F400-R961 PolarHBondContact N-O 2.86Å; F400-V962 HydrophobicContact CB-CG1 4.44Å
401S87.2Confident91.4Very high0 Ų030.4 Ų30.40%015%0.151CC..  trans-93.7122.5172.3-174.70000110.2T399 P403 A404 I405 R961 V962 D967T399-S401 PolarHBondContact OG1-N 3.07Å; S401-P403 WeakPolarHBondContact OG-CD 3.44Å; S401-A404 WeakPolarHBondContact O-CB 3.49Å; S401-A404 PolarHBondContact O-N 2.8Å; S401-I405 PolarHBondContact O-N 2.82Å; S401-R961 PolarHBondContact N-O 2.84Å; S401-V962 VanDerWaalsContact CB-C 3.49Å; S401-D967 PolarHBondContact OG-OD2 2.89Å
402S88.2Confident91.5Very high4 Ų430.1 Ų30.13%0.02815%0.15CC..Hα-helixtrans-64.1-41.5178.789.80000113.6A404 I405 E406 R963S402-A404 VanDerWaalsContact C-N 3.3Å; S402-A404 PolarHBondContact O-N 2.89Å; S402-I405 PolarHBondContact O-N 2.95Å; S402-I405 VanDerWaalsContact O-N 3.13Å; S402-E406 WeakPolarHBondContact O-CB 3.26Å; S402-E406 VanDerWaalsContact O-CG 3.24Å; S402-E406 WeakPolarHBondContact O-CG 3.15Å; S402-E406 PolarHBondContact O-N 3.04Å; S402-R963 PolarHBondContact OG-NH2 2.82Å
403P91.1Very high91.6Very high0 Ų028 Ų280%014%0.144CC..Hα-helixtrans-57.3-38172.8-27.636.7000114S401 I405 T407 T957 D967S401-P403 WeakPolarHBondContact OG-CD 3.44Å; P403-I405 VanDerWaalsContact C-N 3.32Å; P403-I405 PolarHBondContact O-N 3.03Å; P403-T407 WeakPolarHBondContact O-CB 3.38Å; P403-T407 WeakPolarHBondContact O-CG2 3.48Å; P403-T407 PolarHBondContact O-N 3.24Å; P403-T407 PolarHBondContact O-OG1 2.83Å; P403-T957 HydrophobicContact CB-CG2 3.97Å; P403-D967 HydrophobicContact CB-CB 3.95Å; P403-D967 HydrophobicContact CG-CB 4.04Å
404A93Very high91.5Very high0 Ų027.5 Ų27.50%016%0.156CC..Hα-helixtrans-61.3-41176.700000112F391 T399 S401 S402 T407 H408 T957F391-A404 HydrophobicContact CZ-CB 4.41Å; F391-A404 VanDerWaalsContact CZ-O 3.26Å; F391-A404 WeakPolarHBondContact CZ-O 3.27Å; T399-A404 HydrophobicContact CG2-CB 4.08Å; S401-A404 WeakPolarHBondContact O-CB 3.49Å; S401-A404 PolarHBondContact O-N 2.8Å; S402-A404 VanDerWaalsContact C-N 3.3Å; S402-A404 PolarHBondContact O-N 2.89Å; A404-T407 PolarHBondContact O-OG1 3.12Å; A404-T407 VanDerWaalsContact O-OG1 3.08Å; A404-H408 PolarHBondContact O-ND1 3.31Å; A404-T957 WeakPolarHBondContact CA-O 3.38Å; A404-T957 WeakPolarHBondContact CB-O 3.49Å
405I93.3Very high91.7Very high7 Ų720.4 Ų20.44%0.03613%0.13CC..Hα-helixtrans-74.6-47.8179.3-60.9162.5000110.7T95 V366 T399 S401 S402 P403 T407 H408T95-I405 HydrophobicContact CG2-CG2 3.99Å; V366-I405 HydrophobicContact CG1-CG2 4.06Å; T399-I405 HydrophobicContact CG2-CG1 4.06Å; S401-I405 PolarHBondContact O-N 2.82Å; S402-I405 PolarHBondContact O-N 2.95Å; S402-I405 VanDerWaalsContact O-N 3.13Å; P403-I405 VanDerWaalsContact C-N 3.32Å; P403-I405 PolarHBondContact O-N 3.03Å; I405-T407 VanDerWaalsContact C-N 3.33Å; I405-T407 PolarHBondContact O-N 2.96Å; I405-H408 WeakPolarHBondContact O-CB 3.18Å; I405-H408 PolarHBondContact O-N 3.28Å
406E93.4Very high91.8Very high19 Ų1917.4 Ų17.49%0.08911%0.109CC..Hα-helixtrans-56.8-43.8-178.8-76.9171.2175.900112.4S402 H408 I409 Y421 F970S402-E406 WeakPolarHBondContact O-CB 3.26Å; S402-E406 VanDerWaalsContact O-CG 3.24Å; S402-E406 WeakPolarHBondContact O-CG 3.15Å; S402-E406 PolarHBondContact O-N 3.04Å; E406-H408 PolarHBondContact O-N 3.36Å; E406-I409 WeakPolarHBondContact O-CG1 3.19Å; E406-I409 PolarHBondContact O-N 3.02Å; E406-Y421 HydrophobicContact CG-CE1 3.96Å; E406-Y421 WeakPolarHBondContact CG-OH 3.2Å; E406-Y421 PolarHBondContact OE1-OH 2.81Å; E406-F970 HydrophobicContact CB-CB 3.67Å; E406-F970 HydrophobicContact CB-CD1 3.97Å; E406-F970 HydrophobicContact CB-CD2 4.17Å; E406-F970 HydrophobicContact CB-CG 3.69Å; E406-F970 HydrophobicContact CG-CB 4.46Å; E406-F970 HydrophobicContact CG-CD1 4.43Å; E406-F970 WeakPolarHBondContact O-CE2 3.25Å; E406-F970 WeakPolarHBondContact OE2-CB 3.28Å
407T92.8Very high91.7Very high0 Ų020 Ų200%012%0.121CC..THydrogen-bonded Turntrans-64-8.9178.652.20000114.2P403 A404 I405 H410 Q947 F954 T957 F970P403-T407 WeakPolarHBondContact O-CB 3.38Å; P403-T407 WeakPolarHBondContact O-CG2 3.48Å; P403-T407 PolarHBondContact O-N 3.24Å; P403-T407 PolarHBondContact O-OG1 2.83Å; A404-T407 PolarHBondContact O-OG1 3.12Å; A404-T407 VanDerWaalsContact O-OG1 3.08Å; I405-T407 VanDerWaalsContact C-N 3.33Å; I405-T407 PolarHBondContact O-N 2.96Å; T407-H410 PolarHBondContact O-CE1 2.97Å; T407-H410 PolarHBondContact O-ND1 3.45Å; T407-H410 VanDerWaalsContact O-ND1 3.13Å; T407-Q947 PolarHBondContact O-NE2 2.8Å; T407-F954 HydrophobicContact CG2-CD1 3.66Å; T407-F954 HydrophobicContact CG2-CE1 3.59Å; T407-T957 HydrophobicContact CG2-CG2 4.39Å; T407-F970 HydrophobicContact CG2-CD2 4.28Å
408H95Very high91.6Very high6 Ų619.6 Ų19.63%0.02812%0.118CC..THydrogen-bonded Turntrans-104.3-15.3178.7-72.471.9000114.7I390 F391 A404 I405 E406 H410 R411 S958I390-H408 HydrophobicContact CB-CB 4.25Å; I390-H408 HydrophobicContact CD1-CB 3.86Å; I390-H408 HydrophobicContact CG1-CB 3.93Å; I390-H408 PolarHBondContact O-CD2 3.1Å; F391-H408 HydrophobicContact CD2-CB 4.26Å; F391-H408 HydrophobicContact CE2-CB 4.15Å; F391-H408 AromaticContact CE2-CG 3.97Å; F391-H408 AromaticContact CZ-ND1 3.89Å; A404-H408 PolarHBondContact O-ND1 3.31Å; I405-H408 WeakPolarHBondContact O-CB 3.18Å; I405-H408 PolarHBondContact O-N 3.28Å; E406-H408 PolarHBondContact O-N 3.36Å; H408-H410 VanDerWaalsContact C-N 3.26Å; H408-H410 PolarHBondContact O-N 2.89Å; H408-H410 VanDerWaalsContact O-N 3.15Å; H408-R411 PolarHBondContact CD2-NH1 2.86Å; H408-R411 PolarHBondContact NE2-NH1 2.79Å; H408-R411 WeakPolarHBondContact O-CB 3.45Å; H408-R411 PolarHBondContact O-N 3.35Å; H408-S958 PolarHBondContact CE1-OG 3.42Å; H408-S958 PolarHBondContact NE2-OG 3.21Å
409I95.4Very high91.9Very high0 Ų017.6 Ų17.60%011%0.105CC..G310 helixtrans-64.2-26.8-170.373.2-172.8000114V93 V366 E406 R411 I412 L415 F419 Y421 F970V93-I409 HydrophobicContact CG1-CB 4.22Å; V366-I409 HydrophobicContact CG2-CG2 4.39Å; E406-I409 WeakPolarHBondContact O-CG1 3.19Å; E406-I409 PolarHBondContact O-N 3.02Å; I409-R411 PolarHBondContact O-N 3.26Å; I409-I412 HydrophobicContact CB-CD1 4.39Å; I409-I412 VanDerWaalsContact O-CD1 3.32Å; I409-I412 WeakPolarHBondContact O-CD1 3.28Å; I409-I412 VanDerWaalsContact O-CG1 3.22Å; I409-I412 WeakPolarHBondContact O-CG1 3.25Å; I409-I412 PolarHBondContact O-N 3.01Å; I409-L415 WeakPolarHBondContact O-CD2 3.45Å; I409-F419 HydrophobicContact CD1-CE2 3.89Å; I409-F419 HydrophobicContact CD1-CZ 4.29Å; I409-F419 HydrophobicContact CG1-CE2 3.92Å; I409-F419 HydrophobicContact CG1-CZ 3.94Å; I409-Y421 HydrophobicContact CD1-CD1 4.3Å; I409-Y421 HydrophobicContact CD1-CD2 3.49Å; I409-Y421 VanDerWaalsContact CD1-CD2 3.49Å; I409-Y421 HydrophobicContact CD1-CE2 4.02Å; I409-Y421 HydrophobicContact CD1-CG 3.66Å; I409-F970 HydrophobicContact CD1-CE1 3.94Å; I409-F970 HydrophobicContact CD1-CZ 3.84Å; I409-F970 HydrophobicContact CG1-CZ 4.15Å
410H94.8Very high92.2Very high4 Ų417.7 Ų17.72%0.01911%0.105CC..G310 helixtrans-66.2-6.6177.172.6-85.9000113.7T407 H408 F419 R940 M943 Q947T407-H410 PolarHBondContact O-CE1 2.97Å; T407-H410 PolarHBondContact O-ND1 3.45Å; T407-H410 VanDerWaalsContact O-ND1 3.13Å; H408-H410 VanDerWaalsContact C-N 3.26Å; H408-H410 PolarHBondContact O-N 2.89Å; H408-H410 VanDerWaalsContact O-N 3.15Å; H410-F419 HydrophobicContact CB-CE1 4.17Å; H410-F419 HydrophobicContact CB-CZ 4.21Å; H410-R940 HydrophobicContact CB-CG 4.33Å; H410-R940 PolarHBondContact O-NE 3Å; H410-R940 PolarHBondContact O-NH2 3.38Å; H410-M943 HydrophobicContact CB-CB 4.36Å; H410-M943 HydrophobicContact CB-CG 4.08Å; H410-Q947 PolarHBondContact CE1-OE1 2.79Å; H410-Q947 PolarHBondContact NE2-OE1 2.92Å
411R94.6Very high92.6Very high66 Ų6618 Ų1825%0.24911%0.106CC..G310 helixtrans-97.7-3.1-178.4-54.5-177-176.61572.4113.9H408 I409H408-R411 PolarHBondContact CD2-NH1 2.86Å; H408-R411 PolarHBondContact NE2-NH1 2.79Å; H408-R411 WeakPolarHBondContact O-CB 3.45Å; H408-R411 PolarHBondContact O-N 3.35Å; I409-R411 PolarHBondContact O-N 3.26Å
412I96.1Very high92.8Very high2 Ų218 Ų181%0.0111%0.107CC..  trans-53.6126.7-178.4-68.1165.2000111.3V93 F364 V366 V385 I390 I409 G414 L415V93-I412 HydrophobicContact CG1-CD1 3.63Å; V93-I412 HydrophobicContact CG2-CD1 4.03Å; F364-I412 HydrophobicContact CB-CD1 4.19Å; F364-I412 HydrophobicContact CD1-CG2 3.54Å; F364-I412 HydrophobicContact CD2-CG2 4.44Å; F364-I412 HydrophobicContact CE1-CG2 3.71Å; F364-I412 HydrophobicContact CG-CG2 3.93Å; F364-I412 HydrophobicContact CZ-CG2 4.25Å; V366-I412 HydrophobicContact CG2-CD1 3.77Å; V385-I412 HydrophobicContact CG1-CG1 4.4Å; V385-I412 HydrophobicContact CG2-CG2 4.13Å; I390-I412 HydrophobicContact CG2-CG1 3.67Å; I409-I412 HydrophobicContact CB-CD1 4.39Å; I409-I412 VanDerWaalsContact O-CD1 3.32Å; I409-I412 WeakPolarHBondContact O-CD1 3.28Å; I409-I412 VanDerWaalsContact O-CG1 3.22Å; I409-I412 WeakPolarHBondContact O-CG1 3.25Å; I409-I412 PolarHBondContact O-N 3.01Å; I412-G414 PolarHBondContact O-N 3.28Å; I412-L415 HydrophobicContact CB-CB 4.04Å; I412-L415 HydrophobicContact CB-CD2 4.17Å; I412-L415 HydrophobicContact CG2-CB 4.25Å; I412-L415 VanDerWaalsContact O-CB 3.23Å; I412-L415 WeakPolarHBondContact O-CB 3.22Å; I412-L415 PolarHBondContact O-N 3.43Å
413P90.6Very high92.7Very high93 Ų9318.2 Ų18.260%0.60411%0.107SC*.THydrogen-bonded Turntrans-59.5127.6176.7-26.135.4000112.9L415P413-L415 VanDerWaalsContact C-N 3.34Å
414G88.9Confident92.4Very high60 Ų6019 Ų1962%0.61911%0.112SC*.THydrogen-bonded Turntrans86.7-7179.300000115.9R361 I412R361-G414 PolarHBondContact NH2-O 3.33Å; I412-G414 PolarHBondContact O-N 3.28Å
415L94.1Very high91.9Very high6 Ų619.1 Ų19.13%0.03111%0.112CC..  trans-61.9136.3179.7-17367.8000112.7D91 V93 F364 I409 I412 P413 F419 R940D91-L415 HydrophobicContact CB-CD1 3.87Å; V93-L415 HydrophobicContact CG2-CD1 3.5Å; V93-L415 VanDerWaalsContact CG2-CD1 3.5Å; V93-L415 HydrophobicContact CG2-CD2 4.21Å; F364-L415 HydrophobicContact CD2-CD1 3.66Å; F364-L415 HydrophobicContact CE2-CB 4.46Å; F364-L415 HydrophobicContact CE2-CD1 3.68Å; I409-L415 WeakPolarHBondContact O-CD2 3.45Å; I412-L415 HydrophobicContact CB-CB 4.04Å; I412-L415 HydrophobicContact CB-CD2 4.17Å; I412-L415 HydrophobicContact CG2-CB 4.25Å; I412-L415 VanDerWaalsContact O-CB 3.23Å; I412-L415 WeakPolarHBondContact O-CB 3.22Å; I412-L415 PolarHBondContact O-N 3.43Å; P413-L415 VanDerWaalsContact C-N 3.34Å; L415-F419 HydrophobicContact CD1-CB 3.81Å; L415-F419 HydrophobicContact CD1-CD2 4.45Å; L415-F419 HydrophobicContact CD1-CG 4.02Å; L415-F419 HydrophobicContact CD2-CB 4.46Å; L415-F419 HydrophobicContact CD2-CD1 3.63Å; L415-F419 HydrophobicContact CD2-CD2 4.21Å; L415-F419 HydrophobicContact CD2-CE1 3.81Å; L415-F419 HydrophobicContact CD2-CE2 4.36Å; L415-F419 HydrophobicContact CD2-CG 3.84Å; L415-F419 HydrophobicContact CD2-CZ 4.16Å; L415-F419 HydrophobicContact CG-CB 4.19Å; L415-F419 HydrophobicContact CG-CD1 4.09Å; L415-F419 HydrophobicContact CG-CG 4.11Å; L415-R940 PolarHBondContact O-NH1 2.81Å
416S91.3Very high91.8Very high8 Ų818.9 Ų18.96%0.05611%0.111CC..  trans-60.5156.6177.357.40000113.9P89 D91 K418 R940P89-S416 WeakPolarHBondContact O-CB 3.33Å; D91-S416 PolarHBondContact N-OG 2.86Å; D91-S416 WeakPolarHBondContact OD2-CB 3.49Å; D91-S416 PolarHBondContact OD2-N 2.75Å; D91-S416 PolarHBondContact OD2-OG 3.19Å; S416-K418 WeakPolarHBondContact CB-O 3.38Å; S416-K418 PolarHBondContact O-N 2.96Å; S416-K418 PolarHBondContact OG-O 3.48Å; S416-R940 WeakPolarHBondContact O-CD 3.32Å
417Q89Confident91.8Very high71 Ų7118.1 Ų18.133%0.33211%0.108SC..SBendtrans-61.7-41.8-177.8-178.254.942.100112.9D939 R940 L941Q417-D939 PolarHBondContact NE2-OD1 3.22Å; Q417-R940 PolarHBondContact O-N 3.33Å; Q417-L941 VanDerWaalsContact NE2-CG 3.31Å
418K90.3Very high91.8Very high21 Ų2118.2 Ų18.29%0.09111%0.108CC..EExtended strand (participates in β ladder)trans-109.5132.4163.6-64.5-169.8-173-66.20108.3M88 S416 M937 I938 D939M88-K418 HydrophobicContact CE-CD 3.91Å; M88-K418 HydrophobicContact CE-CG 4.39Å; S416-K418 WeakPolarHBondContact CB-O 3.38Å; S416-K418 PolarHBondContact O-N 2.96Å; S416-K418 PolarHBondContact OG-O 3.48Å; K418-M937 HydrophobicContact CB-CG 4.46Å; K418-M937 HydrophobicContact CB-SD 4.41Å; K418-M937 HydrophobicContact CD-SD 4.02Å; K418-I938 WeakPolarHBondContact CA-O 3.32Å; K418-D939 HydrophobicContact CG-CB 4.23Å; K418-D939 WeakPolarHBondContact CG-OD2 3.48Å; K418-D939 IonicContact NZ-OD2 2.63Å; K418-D939 PolarHBondContact NZ-OD2 2.64Å
419F94.8Very high91.8Very high0 Ų018.2 Ų18.20%011%0.109CC..EExtended strand (participates in β ladder)trans-136.8166.517767.4-83.5000109.3D91 V93 I409 H410 L415 M937 I938 R940D91-F419 HydrophobicContact CB-CB 4.44Å; D91-F419 CarbonylContact O-C 3.55Å; D91-F419 WeakPolarHBondContact O-CA 3.5Å; V93-F419 HydrophobicContact CB-CD2 4.14Å; V93-F419 HydrophobicContact CB-CE2 4.36Å; V93-F419 HydrophobicContact CG2-CD2 3.52Å; V93-F419 HydrophobicContact CG2-CE2 3.98Å; V93-F419 HydrophobicContact CG2-CG 4.28Å; I409-F419 HydrophobicContact CD1-CE2 3.89Å; I409-F419 HydrophobicContact CD1-CZ 4.29Å; I409-F419 HydrophobicContact CG1-CE2 3.92Å; I409-F419 HydrophobicContact CG1-CZ 3.94Å; H410-F419 HydrophobicContact CB-CE1 4.17Å; H410-F419 HydrophobicContact CB-CZ 4.21Å; L415-F419 HydrophobicContact CD1-CB 3.81Å; L415-F419 HydrophobicContact CD1-CD2 4.45Å; L415-F419 HydrophobicContact CD1-CG 4.02Å; L415-F419 HydrophobicContact CD2-CB 4.46Å; L415-F419 HydrophobicContact CD2-CD1 3.63Å; L415-F419 HydrophobicContact CD2-CD2 4.21Å; L415-F419 HydrophobicContact CD2-CE1 3.81Å; L415-F419 HydrophobicContact CD2-CE2 4.36Å; L415-F419 HydrophobicContact CD2-CG 3.84Å; L415-F419 HydrophobicContact CD2-CZ 4.16Å; L415-F419 HydrophobicContact CG-CB 4.19Å; L415-F419 HydrophobicContact CG-CD1 4.09Å; L415-F419 HydrophobicContact CG-CG 4.11Å; F419-M937 CarbonylContact O-C 3.6Å; F419-M937 WeakPolarHBondContact O-CA 3.35Å; F419-I938 HydrophobicContact CD1-CB 4.3Å; F419-I938 WeakPolarHBondContact CD1-O 3.49Å; F419-I938 HydrophobicContact CE1-CB 3.7Å; F419-I938 HydrophobicContact CE1-CG2 3.69Å; F419-I938 HydrophobicContact CE2-CB 4.01Å; F419-I938 HydrophobicContact CE2-CG1 4.24Å; F419-I938 HydrophobicContact CZ-CB 3.55Å; F419-I938 HydrophobicContact CZ-CG1 4.12Å; F419-I938 HydrophobicContact CZ-CG2 3.63Å; F419-I938 PolarHBondContact N-O 3.03Å; F419-I938 PolarHBondContact O-N 2.82Å; F419-R940 HydrophobicContact CD1-CG 3.92Å; F419-R940 HydrophobicContact CE1-CG 3.73Å
420I95.3Very high91.6Very high1 Ų123 Ų231%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-114121.8176.5-54178.6000109.3I90 D91 V92 V93 W359 L422 F437 P935 H936 M937I90-I420 HydrophobicContact CG2-CD1 4.07Å; I90-I420 HydrophobicContact CG2-CG1 3.85Å; D91-I420 PolarHBondContact O-N 3.23Å; V92-I420 CarbonylContact C-O 3.58Å; V92-I420 WeakPolarHBondContact CA-O 3.45Å; V92-I420 HydrophobicContact CG2-CB 4.4Å; V93-I420 PolarHBondContact N-O 3.08Å; W359-I420 HydrophobicContact CH2-CD1 3.72Å; W359-I420 HydrophobicContact CZ3-CD1 4.29Å; I420-L422 HydrophobicContact CB-CD1 4.31Å; I420-L422 HydrophobicContact CG2-CD1 3.68Å; I420-F437 HydrophobicContact CD1-CD1 4.47Å; I420-F437 HydrophobicContact CD1-CD2 3.73Å; I420-F437 HydrophobicContact CD1-CE1 4.32Å; I420-F437 HydrophobicContact CD1-CE2 3.54Å; I420-F437 HydrophobicContact CD1-CG 4.19Å; I420-F437 HydrophobicContact CD1-CZ 3.84Å; I420-F437 HydrophobicContact CG2-CE1 4.48Å; I420-P935 HydrophobicContact CG2-CB 3.62Å; I420-H936 CarbonylContact C-O 3.57Å; I420-H936 WeakPolarHBondContact CA-O 3.3Å; I420-M937 HydrophobicContact CD1-CE 3.98Å; I420-M937 HydrophobicContact CG1-CB 4.22Å; I420-M937 HydrophobicContact CG1-CE 3.96Å; I420-M937 HydrophobicContact CG1-CG 4.48Å
421Y95.3Very high91.3Very high9 Ų927.7 Ų27.74%0.03516%0.156CC..EExtended strand (participates in β ladder)trans-83.3133.5170.8176.6-129.7000110.3V93 T95 E406 I409 N423 P935 H936 F970V93-Y421 WeakPolarHBondContact O-CA 3.18Å; V93-Y421 WeakPolarHBondContact O-CD2 3.3Å; T95-Y421 HydrophobicContact CG2-CE2 3.96Å; T95-Y421 PolarHBondContact OG1-OH 3.32Å; T95-Y421 VanDerWaalsContact OG1-OH 3.1Å; E406-Y421 HydrophobicContact CG-CE1 3.96Å; E406-Y421 WeakPolarHBondContact CG-OH 3.2Å; E406-Y421 PolarHBondContact OE1-OH 2.81Å; I409-Y421 HydrophobicContact CD1-CD1 4.3Å; I409-Y421 HydrophobicContact CD1-CD2 3.49Å; I409-Y421 VanDerWaalsContact CD1-CD2 3.49Å; I409-Y421 HydrophobicContact CD1-CE2 4.02Å; I409-Y421 HydrophobicContact CD1-CG 3.66Å; Y421-N423 PolarHBondContact OH-OD1 3.15Å; Y421-P935 CarbonylContact O-C 3.59Å; Y421-P935 WeakPolarHBondContact O-CA 3.44Å; Y421-H936 PolarHBondContact N-O 2.86Å; Y421-H936 PolarHBondContact O-N 3.3Å; Y421-F970 HydrophobicContact CD1-CD1 4.18Å; Y421-F970 AromaticContact CD1-CE1 3.88Å; Y421-F970 HydrophobicContact CD1-CE1 3.88Å; Y421-F970 HydrophobicContact CE1-CD1 4.3Å; Y421-F970 HydrophobicContact CE1-CE1 4.38Å; Y421-F970 HydrophobicContact CG-CE1 4.4Å
422L91.6Very high91Very high2 Ų224.6 Ų24.61%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-132.1144.5172.2-76.495.9000110.7V92 V93 Y94 I420 V426 F428 P935V92-L422 HydrophobicContact CB-CD1 4.49Å; V92-L422 HydrophobicContact CG1-CD1 3.65Å; V92-L422 HydrophobicContact CG2-CD1 4.09Å; V93-L422 PolarHBondContact O-N 3.27Å; Y94-L422 WeakPolarHBondContact CA-O 3.02Å; Y94-L422 HydrophobicContact CD1-CB 3.79Å; Y94-L422 WeakPolarHBondContact CD1-O 3.32Å; Y94-L422 HydrophobicContact CE1-CB 3.49Å; Y94-L422 VanDerWaalsContact CE1-CB 3.49Å; Y94-L422 HydrophobicContact CE1-CD2 4.24Å; Y94-L422 HydrophobicContact CE1-CG 4.41Å; I420-L422 HydrophobicContact CB-CD1 4.31Å; I420-L422 HydrophobicContact CG2-CD1 3.68Å; L422-V426 HydrophobicContact CD2-CG1 4.25Å; L422-F428 HydrophobicContact CD1-CZ 4.47Å; L422-F428 HydrophobicContact CD2-CE2 3.84Å; L422-F428 HydrophobicContact CD2-CZ 4.06Å; L422-P935 HydrophobicContact CD1-CB 4.04Å; L422-P935 HydrophobicContact CD2-CB 4.11Å; L422-P935 HydrophobicContact CD2-CG 3.74Å; L422-P935 HydrophobicContact CG-CB 3.77Å; L422-P935 HydrophobicContact CG-CG 3.92Å
423N86.8Confident90.5Very high7 Ų732.2 Ų32.24%0.03717%0.173CC..EExtended strand (participates in β ladder)trans-81.5160.2159.3-69.313.5000109.5Y421 D425 V426 F868 H933Y421-N423 PolarHBondContact OH-OD1 3.15Å; N423-D425 VanDerWaalsContact C-N 3.32Å; N423-D425 WeakPolarHBondContact CB-OD1 3.42Å; N423-V426 HydrophobicContact CB-CG2 4Å; N423-V426 PolarHBondContact O-N 3.4Å; N423-F868 HydrophobicContact CB-CD2 4.25Å; N423-F868 HydrophobicContact CB-CE2 3.64Å; N423-F868 HydrophobicContact CB-CZ 4.05Å; N423-F868 WeakPolarHBondContact ND2-CD2 3.39Å; N423-F868 WeakPolarHBondContact ND2-CE2 3.27Å; N423-H933 PolarHBondContact ND2-CE1 3.05Å; N423-H933 PolarHBondContact ND2-NE2 3.06Å
424D83.5Confident90.2Very high18 Ų1828.8 Ų28.810%0.09615%0.15CC..THydrogen-bonded Turntrans-65.5-32.5175.748.85.3000113.3W96 E345 L346 V426 F868W96-D424 VanDerWaalsContact CD1-OD2 3.24Å; E345-D424 CarbonylContact C-O 3.54Å; L346-D424 HydrophobicContact CB-CB 3.79Å; L346-D424 HydrophobicContact CD1-CB 4.27Å; D424-V426 PolarHBondContact O-N 2.82Å; D424-F868 WeakPolarHBondContact OD1-CE2 3.39Å; D424-F868 WeakPolarHBondContact OD1-CZ 3.48Å
425D84.1Confident90Very high2 Ų230.1 Ų30.11%0.01114%0.143CC..THydrogen-bonded Turntrans-78.24.5173.862.117.3000115.3N423 R873 C1126 L1127N423-D425 VanDerWaalsContact C-N 3.32Å; N423-D425 WeakPolarHBondContact CB-OD1 3.42Å; D425-R873 IonicContact OD2-CZ 2.7Å; D425-R873 IonicContact OD2-NH1 3.57Å; D425-R873 IonicContact OD2-NH2 3.02Å; D425-R873 PolarHBondContact OD2-NH2 2.84Å; D425-C1126 WeakPolarHBondContact O-CA 3.37Å; D425-L1127 PolarHBondContact O-N 3.48Å
426V90.6Very high89.7Confident2 Ų230.7 Ų30.71%0.01215%0.147CC..EExtended strand (participates in β ladder)trans-107.9137.5177178.70000111.1S349 L422 N423 D424 P935 I1125 C1126S349-V426 WeakPolarHBondContact CB-O 3.31Å; S349-V426 PolarHBondContact OG-O 3.39Å; L422-V426 HydrophobicContact CD2-CG1 4.25Å; N423-V426 HydrophobicContact CB-CG2 4Å; N423-V426 PolarHBondContact O-N 3.4Å; D424-V426 PolarHBondContact O-N 2.82Å; V426-P935 HydrophobicContact CG1-CG 3.63Å; V426-I1125 CarbonylContact C-O 3.51Å; V426-I1125 WeakPolarHBondContact CA-O 3.44Å; V426-C1126 HydrophobicContact CG2-CB 4.13Å
427M92.4Very high89.7Confident3 Ų330.5 Ų30.52%0.01515%0.145CC..EExtended strand (participates in β ladder)trans-141.4156.4-172.1-58.9-171.816700113.5I1125 Y1149 F1153M427-I1125 HydrophobicContact CB-CB 4.45Å; M427-I1125 PolarHBondContact N-O 2.92Å; M427-I1125 PolarHBondContact O-N 2.89Å; M427-Y1149 HydrophobicContact CE-CD1 3.66Å; M427-Y1149 HydrophobicContact CE-CE1 3.26Å; M427-Y1149 HydrophobicContact SD-CD1 3.96Å; M427-Y1149 HydrophobicContact SD-CE1 3.67Å; M427-F1153 HydrophobicContact SD-CE2 3.73Å
428F94.3Very high89.6Confident1 Ų130.1 Ų30.10%0.00414%0.141CC..EExtended strand (participates in β ladder)trans-90.4118.6168.2-63.4-66.6000111.6S352 V353 H356 A357 L422 V432 F437 P935 K1123 F1124 F1153S352-F428 PolarHBondContact OG-N 3.01Å; V353-F428 HydrophobicContact CG2-CD2 4.15Å; V353-F428 HydrophobicContact CG2-CE2 3.98Å; H356-F428 HydrophobicContact CB-CB 3.78Å; H356-F428 PolarHBondContact CD2-O 3.18Å; A357-F428 HydrophobicContact CB-CD2 4.39Å; A357-F428 HydrophobicContact CB-CE2 4.29Å; L422-F428 HydrophobicContact CD1-CZ 4.47Å; L422-F428 HydrophobicContact CD2-CE2 3.84Å; L422-F428 HydrophobicContact CD2-CZ 4.06Å; F428-V432 HydrophobicContact CD1-CB 4.36Å; F428-V432 HydrophobicContact CD1-CG1 3.84Å; F428-V432 HydrophobicContact CD1-CG2 3.6Å; F428-V432 HydrophobicContact CE1-CG1 4.25Å; F428-V432 HydrophobicContact CE1-CG2 3.71Å; F428-V432 HydrophobicContact CG-CG2 4.13Å; F428-V432 HydrophobicContact CZ-CG2 4.33Å; F428-F437 HydrophobicContact CE1-CZ 4.04Å; F428-F437 HydrophobicContact CZ-CZ 4.36Å; F428-P935 HydrophobicContact CE1-CB 4.16Å; F428-P935 HydrophobicContact CE1-CG 3.68Å; F428-P935 HydrophobicContact CZ-CB 3.97Å; F428-P935 HydrophobicContact CZ-CG 3.76Å; F428-K1123 CarbonylContact C-O 3.6Å; F428-K1123 WeakPolarHBondContact CA-O 3.36Å; F428-F1124 HydrophobicContact CD1-CD1 4.13Å; F428-F1124 HydrophobicContact CD1-CE1 4.33Å; F428-F1124 AromaticContact CE1-CD1 3.94Å; F428-F1124 HydrophobicContact CE1-CD1 3.94Å; F428-F1124 AromaticContact CE1-CE1 3.95Å; F428-F1124 HydrophobicContact CE1-CE1 3.95Å; F428-F1153 VanDerWaalsContact O-CZ 3.32Å; F428-F1153 WeakPolarHBondContact O-CZ 3.48Å
429G93.1Very high89.1Confident6 Ų630.2 Ų30.26%0.06214%0.144CC..SBendtrans-94.7-12.7179.200000115.2R1122 K1123 I1125G429-R1122 CarbonylContact C-O 3.54Å; G429-R1122 VanDerWaalsContact CA-O 3.23Å; G429-R1122 WeakPolarHBondContact CA-O 3.41Å; G429-K1123 PolarHBondContact N-O 2.96Å; G429-I1125 VanDerWaalsContact CA-CD1 3.49Å
430K92.3Very high88.2Confident102 Ų10236.8 Ų36.844%0.44317%0.174SC..SBendtrans-148.1161.6178.2-81.3176.3167.6155.30109H356 V432 P1121 K1123H356-K430 WeakPolarHBondContact CB-O 3.12Å; K430-V432 PolarHBondContact O-N 3.21Å; K430-P1121 WeakPolarHBondContact CD-O 3.34Å; K430-P1121 WeakPolarHBondContact CE-O 3.43Å; K430-P1121 HydrophobicContact CG-CB 4.49Å; K430-P1121 PolarHBondContact NZ-O 2.95Å; K430-K1123 HydrophobicContact CB-CG 4.42Å
431D87.8Confident87.2Confident102 Ų10240.7 Ų40.755%0.54520%0.202SC..  trans-54.9131.5173.7-51.7-21.1000110.4H356H356-D431 IonicContact CE1-OD1 3.61Å; H356-D431 IonicContact CG-OD1 3.12Å; H356-D431 PolarHBondContact ND1-N 2.6Å; H356-D431 IonicContact ND1-OD1 2.75Å; H356-D431 PolarHBondContact ND1-OD1 3.17Å
432V89.6Confident86.6Confident1 Ų145 Ų451%0.00622%0.221CC..  trans-124.4153.8179.2-69.10000110.5H356 A357 W359 F428 K430 D436 K1123 F1124H356-V432 PolarHBondContact O-N 3.36Å; A357-V432 HydrophobicContact CB-CG2 3.84Å; W359-V432 HydrophobicContact CZ2-CG2 4.31Å; W359-V432 PolarHBondContact NE1-O 2.99Å; F428-V432 HydrophobicContact CD1-CB 4.36Å; F428-V432 HydrophobicContact CD1-CG1 3.84Å; F428-V432 HydrophobicContact CD1-CG2 3.6Å; F428-V432 HydrophobicContact CE1-CG1 4.25Å; F428-V432 HydrophobicContact CE1-CG2 3.71Å; F428-V432 HydrophobicContact CG-CG2 4.13Å; F428-V432 HydrophobicContact CZ-CG2 4.33Å; K430-V432 PolarHBondContact O-N 3.21Å; V432-D436 WeakPolarHBondContact CA-OD2 3.44Å; V432-K1123 HydrophobicContact CG1-CB 4.05Å; V432-K1123 HydrophobicContact CG1-CD 4.2Å; V432-K1123 HydrophobicContact CG1-CG 4.15Å; V432-F1124 HydrophobicContact CG1-CE1 3.96Å; V432-F1124 HydrophobicContact CG1-CZ 4.45Å
433W85.4Confident86.4Confident162 Ų16245 Ų4561%0.61422%0.221SC*.  trans-126.3161.4179.7-59.690.4000110.9D435 D436W433-D435 PolarHBondContact O-N 2.88Å; W433-D435 VanDerWaalsContact O-N 3.14Å; W433-D436 PolarHBondContact N-OD2 3.25Å; W433-D436 WeakPolarHBondContact O-CB 3.49Å; W433-D436 PolarHBondContact O-N 2.87Å
434P84.2Confident86.7Confident20 Ų2045 Ų4513%0.1322%0.221CC..G310 helixtrans-52.6-35.5173.9-2937.6000113.1I90 W359 D436 F437 Y438I90-P434 HydrophobicContact CD1-CB 3.83Å; I90-P434 HydrophobicContact CD1-CG 4Å; W359-P434 HydrophobicContact CD2-CG 4.06Å; W359-P434 HydrophobicContact CE3-CG 4.04Å; W359-P434 HydrophobicContact CH2-CG 4.31Å; W359-P434 HydrophobicContact CZ2-CG 4.32Å; W359-P434 HydrophobicContact CZ3-CG 4.18Å; P434-D436 PolarHBondContact O-N 3.13Å; P434-F437 PolarHBondContact O-N 3.17Å; P434-Y438 PolarHBondContact O-N 2.89Å
435D84.6Confident87.1Confident89 Ų8945.7 Ų45.748%0.47622%0.223SC..G310 helixtrans-63.6-15.1176.1-77.835.2000114.4W433 F437 Y438 K445W433-D435 PolarHBondContact O-N 2.88Å; W433-D435 VanDerWaalsContact O-N 3.14Å; D435-F437 VanDerWaalsContact C-N 3.26Å; D435-Y438 WeakPolarHBondContact CA-O 3.35Å; D435-K445 WeakPolarHBondContact O-CE 3.22Å; D435-K445 PolarHBondContact O-NZ 2.94Å
436D88.1Confident87.5Confident18 Ų1845.6 Ų45.610%0.09622%0.222CC..G310 helixtrans-76.5-15.7171.1-67.5-46.3000113V432 W433 P434 K445 Y447 K1123 F1124V432-D436 WeakPolarHBondContact CA-OD2 3.44Å; W433-D436 PolarHBondContact N-OD2 3.25Å; W433-D436 WeakPolarHBondContact O-CB 3.49Å; W433-D436 PolarHBondContact O-N 2.87Å; P434-D436 PolarHBondContact O-N 3.13Å; D436-K445 WeakPolarHBondContact O-CD 3.49Å; D436-Y447 PolarHBondContact O-OH 3.32Å; D436-K1123 IonicContact OD1-NZ 3.8Å; D436-K1123 PolarHBondContact OD1-NZ 2.81Å; D436-K1123 IonicContact OD2-NZ 2.72Å; D436-F1124 HydrophobicContact CB-CZ 4.48Å
437F89.9Confident87.6Confident3 Ų345.8 Ų45.81%0.01322%0.223CC..THydrogen-bonded Turntrans-111.5-38.5176.6-55.4-79.8000112.8W359 I420 F428 P434 D435 Q444 K445 M934 P935 M937 F1124W359-F437 HydrophobicContact CH2-CE2 4.25Å; W359-F437 HydrophobicContact CZ2-CE2 4.4Å; I420-F437 HydrophobicContact CD1-CD1 4.47Å; I420-F437 HydrophobicContact CD1-CD2 3.73Å; I420-F437 HydrophobicContact CD1-CE1 4.32Å; I420-F437 HydrophobicContact CD1-CE2 3.54Å; I420-F437 HydrophobicContact CD1-CG 4.19Å; I420-F437 HydrophobicContact CD1-CZ 3.84Å; I420-F437 HydrophobicContact CG2-CE1 4.48Å; F428-F437 HydrophobicContact CE1-CZ 4.04Å; F428-F437 HydrophobicContact CZ-CZ 4.36Å; P434-F437 PolarHBondContact O-N 3.17Å; D435-F437 VanDerWaalsContact C-N 3.26Å; F437-Q444 PolarHBondContact O-NE2 3.3Å; F437-K445 WeakPolarHBondContact O-CB 3.29Å; F437-K445 PolarHBondContact O-N 3.13Å; F437-M934 HydrophobicContact CE1-CE 4.15Å; F437-P935 HydrophobicContact CE1-CB 4.02Å; F437-P935 VanDerWaalsContact CE1-O 3.29Å; F437-P935 WeakPolarHBondContact CE1-O 3.38Å; F437-P935 HydrophobicContact CZ-CB 4.28Å; F437-M937 HydrophobicContact CB-CB 3.79Å; F437-M937 HydrophobicContact CB-CE 3.62Å; F437-M937 HydrophobicContact CB-CG 4.42Å; F437-M937 HydrophobicContact CB-SD 3.84Å; F437-M937 HydrophobicContact CD1-CB 4.33Å; F437-M937 HydrophobicContact CD2-CE 4.2Å; F437-M937 HydrophobicContact CG-CB 4.25Å; F437-M937 HydrophobicContact CG-CE 4.11Å; F437-F1124 AromaticContact CE1-CE1 3.79Å; F437-F1124 HydrophobicContact CE1-CE1 3.79Å; F437-F1124 HydrophobicContact CE1-CZ 4.07Å; F437-F1124 AromaticContact CZ-CE1 3.66Å; F437-F1124 HydrophobicContact CZ-CE1 3.66Å; F437-F1124 HydrophobicContact CZ-CZ 4.18Å
438Y87Confident87.4Confident63 Ų6346.6 Ų46.625%0.24723%0.227CC..EExtended strand (participates in β ladder)trans-146.4124.3-174.8-179.6-86.9000111.9P434 D435 G443 Q444P434-Y438 PolarHBondContact O-N 2.89Å; D435-Y438 WeakPolarHBondContact CA-O 3.35Å; Y438-G443 WeakPolarHBondContact CA-O 3.33Å; Y438-Q444 HydrophobicContact CD2-CB 4.41Å
439S81.1Confident86.8Confident24 Ų2447.9 Ų47.917%0.16824%0.235CC..EExtended strand (participates in β ladder)trans-107.1140.5174.4-174.80000111.3S441 G443S439-S441 VanDerWaalsContact C-N 3.26Å; S439-S441 PolarHBondContact O-N 2.95Å; S439-S441 PolarHBondContact OG-OG 2.78Å; S439-G443 PolarHBondContact N-O 2.84Å; S439-G443 WeakPolarHBondContact O-CA 3.37Å; S439-G443 PolarHBondContact O-N 3.44Å
440H74.6Confident86.1Confident137 Ų13751.3 Ų51.363%0.63425%0.246SC*.THydrogen-bonded Turntrans-65.6-25.6178.9-69.386.6000114
441S75.8Confident85.5Confident83 Ų8350.4 Ų50.458%0.5825%0.251SS*.THydrogen-bonded Turntrans-87.2-46.4179.6550000112.7S439S439-S441 VanDerWaalsContact C-N 3.26Å; S439-S441 PolarHBondContact O-N 2.95Å; S439-S441 PolarHBondContact OG-OG 2.78Å
442K81.8Confident85Confident101 Ų10146.2 Ų46.244%0.43923%0.229SC..THydrogen-bonded Turntrans-101.6-10.5-174.2-63.8-178.4-179.5178.30115.1K1089 F1090 E1091K442-K1089 CarbonylContact O-C 3.54Å; K442-K1089 VanDerWaalsContact O-C 3.25Å; K442-K1089 WeakPolarHBondContact O-CB 3.38Å; K442-F1090 CarbonylContact O-C 3.59Å; K442-F1090 VanDerWaalsContact O-C 3.24Å; K442-F1090 VanDerWaalsContact O-CA 3.24Å; K442-F1090 WeakPolarHBondContact O-CA 3.28Å; K442-F1090 PolarHBondContact O-N 3.34Å; K442-E1091 HydrophobicContact CB-CB 4.28Å; K442-E1091 HydrophobicContact CD-CB 4.31Å; K442-E1091 VanDerWaalsContact CD-CD 3.41Å; K442-E1091 HydrophobicContact CD-CG 4.42Å; K442-E1091 WeakPolarHBondContact CD-OE1 3.43Å; K442-E1091 WeakPolarHBondContact CD-OE2 3.43Å; K442-E1091 VanDerWaalsContact NZ-CD 3.27Å; K442-E1091 IonicContact NZ-OE1 3.95Å; K442-E1091 PolarHBondContact NZ-OE1 2.85Å; K442-E1091 IonicContact NZ-OE2 2.82Å; K442-E1091 PolarHBondContact NZ-OE2 2.98Å
443G87.8Confident84.4Confident1 Ų147.8 Ų47.81%0.0124%0.239CC..EExtended strand (participates in β ladder)trans77.1-143.4-178.700000114.2Y438 S439 K1089Y438-G443 WeakPolarHBondContact CA-O 3.33Å; S439-G443 PolarHBondContact N-O 2.84Å; S439-G443 WeakPolarHBondContact O-CA 3.37Å; S439-G443 PolarHBondContact O-N 3.44Å; G443-K1089 CarbonylContact C-O 3.56Å; G443-K1089 WeakPolarHBondContact CA-O 3.47Å
444Q92.2Very high83.8Confident6 Ų643.5 Ų43.53%0.02823%0.228CC..EExtended strand (participates in β ladder)trans-71.6128-171.8-176.359.143.600112F437 Y438 V446 F975 L978 K1089 F1090 E1091F437-Q444 PolarHBondContact O-NE2 3.3Å; Y438-Q444 HydrophobicContact CD2-CB 4.41Å; Q444-V446 HydrophobicContact CG-CG2 4.31Å; Q444-F975 HydrophobicContact CG-CE1 4.17Å; Q444-L978 HydrophobicContact CB-CD1 3.94Å; Q444-L978 HydrophobicContact CB-CD2 3.99Å; Q444-L978 HydrophobicContact CG-CD1 3.89Å; Q444-L978 HydrophobicContact CG-CD2 4.47Å; Q444-K1089 PolarHBondContact N-O 3.33Å; Q444-F1090 CarbonylContact O-C 3.34Å; Q444-F1090 WeakPolarHBondContact O-CA 3.39Å; Q444-F1090 VanDerWaalsContact O-CB 3.27Å; Q444-F1090 WeakPolarHBondContact O-CB 3.38Å; Q444-E1091 PolarHBondContact O-N 3.18Å
445K92.5Very high83.2Confident33 Ų3343.5 Ų43.514%0.14323%0.229CC..EExtended strand (participates in β ladder)trans-78.6133.8168.1-76.4172.7168.8174.30110.1D435 D436 F437 Y447 E1091 M1093D435-K445 WeakPolarHBondContact O-CE 3.22Å; D435-K445 PolarHBondContact O-NZ 2.94Å; D436-K445 WeakPolarHBondContact O-CD 3.49Å; F437-K445 WeakPolarHBondContact O-CB 3.29Å; F437-K445 PolarHBondContact O-N 3.13Å; K445-Y447 HydrophobicContact CB-CE2 4.16Å; K445-E1091 CarbonylContact C-O 3.55Å; K445-E1091 WeakPolarHBondContact CA-O 3.28Å; K445-M1093 HydrophobicContact CB-CG 3.87Å; K445-M1093 HydrophobicContact CD-CE 4.42Å; K445-M1093 HydrophobicContact CD-CG 4.19Å; K445-M1093 HydrophobicContact CD-SD 3.99Å; K445-M1093 HydrophobicContact CG-CG 3.89Å; K445-M1093 HydrophobicContact CG-SD 4Å
446V93Very high82.6Confident0 Ų040.3 Ų40.30%022%0.215CC..EExtended strand (participates in β ladder)trans-127120.6-178.2-173.30000108.9Q444 L448 F975 M979 F1090 E1091 I1092 M1093Q444-V446 HydrophobicContact CG-CG2 4.31Å; V446-L448 HydrophobicContact CG1-CD2 3.85Å; V446-L448 HydrophobicContact CG1-CG 4.14Å; V446-F975 HydrophobicContact CG1-CB 4.17Å; V446-F975 HydrophobicContact CG1-CD1 4.1Å; V446-F975 HydrophobicContact CG1-CG 4.13Å; V446-F975 HydrophobicContact CG2-CD1 3.88Å; V446-F975 HydrophobicContact CG2-CE1 4.4Å; V446-M979 HydrophobicContact CB-SD 4.4Å; V446-M979 HydrophobicContact CG1-CE 4.06Å; V446-M979 HydrophobicContact CG1-SD 4.13Å; V446-M979 HydrophobicContact CG2-SD 4.25Å; V446-F1090 HydrophobicContact CG2-CB 4.33Å; V446-E1091 PolarHBondContact N-O 3.03Å; V446-I1092 WeakPolarHBondContact O-CA 3.17Å; V446-M1093 PolarHBondContact O-N 3.08Å
447Y91.3Very high81.5Confident7 Ų745.8 Ų45.83%0.02724%0.239CC..EExtended strand (participates in β ladder)trans-102124.3177.2-59.9-101.8000108.3D436 K445 P931 A932 M934 M1093 E1097 I1098 F1124D436-Y447 PolarHBondContact O-OH 3.32Å; K445-Y447 HydrophobicContact CB-CE2 4.16Å; Y447-P931 WeakPolarHBondContact O-CA 3.47Å; Y447-A932 PolarHBondContact O-N 2.91Å; Y447-M934 HydrophobicContact CD2-CE 3.59Å; Y447-M934 HydrophobicContact CD2-SD 4.02Å; Y447-M934 HydrophobicContact CE2-CE 3.7Å; Y447-M934 HydrophobicContact CG-CE 4.33Å; Y447-M1093 HydrophobicContact CD1-CB 3.42Å; Y447-M1093 VanDerWaalsContact CD1-CB 3.42Å; Y447-M1093 HydrophobicContact CD1-CG 4.3Å; Y447-M1093 HydrophobicContact CD2-CB 4.31Å; Y447-M1093 HydrophobicContact CE1-CB 3.34Å; Y447-M1093 HydrophobicContact CE1-CE 4.29Å; Y447-M1093 HydrophobicContact CE1-CG 3.86Å; Y447-M1093 HydrophobicContact CE2-CB 4.25Å; Y447-M1093 HydrophobicContact CE2-CG 4.12Å; Y447-M1093 HydrophobicContact CG-CB 3.92Å; Y447-E1097 HydrophobicContact CE1-CB 4.26Å; Y447-E1097 PolarHBondContact OH-OE2 3.29Å; Y447-I1098 HydrophobicContact CD1-CD1 3.8Å; Y447-I1098 HydrophobicContact CD1-CG1 4.37Å; Y447-I1098 HydrophobicContact CG-CD1 3.91Å; Y447-F1124 HydrophobicContact CE1-CE2 4.29Å; Y447-F1124 HydrophobicContact CE2-CE2 4.27Å; Y447-F1124 AromaticContact CZ-CE2 3.89Å
448L88.7Confident80.6Confident19 Ų1948.1 Ų48.110%0.09927%0.265CS..EExtended strand (participates in β ladder)trans-120.8150.6-176.7-60.5176.2000110.1V446 K929 P931 I1092V446-L448 HydrophobicContact CG1-CD2 3.85Å; V446-L448 HydrophobicContact CG1-CG 4.14Å; L448-K929 HydrophobicContact CB-CB 4.09Å; L448-K929 HydrophobicContact CB-CD 4.23Å; L448-K929 HydrophobicContact CD1-CB 4.43Å; L448-P931 HydrophobicContact CD2-CG 4.47Å; L448-I1092 HydrophobicContact CD1-CD1 4.29Å; L448-I1092 HydrophobicContact CD1-CG2 4.1Å; L448-I1092 HydrophobicContact CG-CG2 4.49Å
449T81.8Confident80Confident28 Ų2845.1 Ų45.117%0.17225%0.253CS..EExtended strand (participates in β ladder)trans-124.1-100.8-178.654.60000112.5K929 V930 A932 E1095T449-K929 VanDerWaalsContact O-CD 3.32Å; T449-K929 WeakPolarHBondContact O-CD 3.44Å; T449-K929 VanDerWaalsContact O-CE 3.3Å; T449-K929 WeakPolarHBondContact O-CE 3.3Å; T449-K929 PolarHBondContact O-NZ 2.92Å; T449-V930 PolarHBondContact N-O 3.03Å; T449-V930 PolarHBondContact OG1-O 2.76Å; T449-V930 VanDerWaalsContact OG1-O 3.13Å; T449-A932 HydrophobicContact CG2-CB 3.66Å; T449-E1095 WeakPolarHBondContact CA-OE1 3.05Å; T449-E1095 HydrophobicContact CG2-CG 4.17Å
450W79.6Confident79.8Confident78 Ų7845.7 Ų45.730%0.29526%0.256SS..EExtended strand (participates in β ladder)trans-92.3153.6-171.253.1-88.1000112.9P453 F908 L912 K929 V930W450-P453 HydrophobicContact CZ3-CG 3.84Å; W450-F908 HydrophobicContact CH2-CE1 4.25Å; W450-F908 HydrophobicContact CZ2-CE1 4.13Å; W450-L912 HydrophobicContact CH2-CD1 3.87Å; W450-K929 CarbonylContact O-C 3.6Å; W450-K929 VanDerWaalsContact O-CA 3.22Å; W450-K929 WeakPolarHBondContact O-CA 3.33Å; W450-K929 WeakPolarHBondContact O-CB 3.32Å; W450-V930 HydrophobicContact CD2-CB 4.18Å; W450-V930 HydrophobicContact CD2-CG2 3.9Å; W450-V930 HydrophobicContact CE3-CG2 3.83Å; W450-V930 HydrophobicContact CH2-CG2 3.7Å; W450-V930 HydrophobicContact CZ2-CB 4.14Å; W450-V930 HydrophobicContact CZ2-CG1 4.19Å; W450-V930 HydrophobicContact CZ2-CG2 3.78Å; W450-V930 HydrophobicContact CZ3-CG2 3.72Å; W450-V930 PolarHBondContact O-N 3.28Å
451P77.9Confident79.6Confident83 Ų8340 Ų4054%0.53923%0.234SC..EExtended strand (participates in β ladder)trans-73.2146.8-178.330.3-35.6000112.9
452V78.7Confident79.4Confident15 Ų1539.9 Ų39.99%0.09123%0.233CC..PPolyproline II helixtrans-56.7139.2177.3171.50000111N454 N916 R928 V930 F972V452-N454 PolarHBondContact O-N 3.48Å; V452-N916 HydrophobicContact CG1-CB 4.27Å; V452-R928 HydrophobicContact CG2-CB 4.03Å; V452-R928 WeakPolarHBondContact CG2-O 3.47Å; V452-R928 PolarHBondContact N-O 3.31Å; V452-V930 HydrophobicContact CG2-CG2 4.41Å; V452-F972 HydrophobicContact CG2-CE2 3.46Å; V452-F972 VanDerWaalsContact CG2-CE2 3.46Å; V452-F972 HydrophobicContact CG2-CZ 3.64Å
453P77.1Confident79Confident33 Ų3339.7 Ų39.721%0.21423%0.23CC..PPolyproline II helixtrans-63.1122.3-175.6-26.338.5000113.3W450 C455 A909 R913W450-P453 HydrophobicContact CZ3-CG 3.84Å; P453-C455 PolarHBondContact O-N 2.98Å; P453-A909 HydrophobicContact CB-CB 4.29Å; P453-A909 HydrophobicContact CG-CB 3.84Å; P453-R913 WeakPolarHBondContact O-CG 3.41Å; P453-R913 PolarHBondContact O-NE 2.67Å
454N73.2Confident78.3Confident72 Ų7240.7 Ų40.739%0.38524%0.235SC..  trans-38.5133.1174.4-71.9-6.7000113V452 A456 C459 G461 R913V452-N454 PolarHBondContact O-N 3.48Å; N454-A456 VanDerWaalsContact C-N 3.27Å; N454-A456 PolarHBondContact O-N 3.12Å; N454-C459 WeakPolarHBondContact CB-O 3.35Å; N454-C459 PolarHBondContact ND2-O 2.77Å; N454-G461 PolarHBondContact OD1-N 2.83Å; N454-R913 PolarHBondContact O-NE 3.01Å; N454-R913 PolarHBondContact O-NH2 2.61Å
455C71.1Confident77.3Confident21 Ų2145.5 Ų45.514%0.14226%0.256CS..SBendtrans-62.7-30.1-179.353.60000113.4P453 C459 I464 A477 C478P453-C455 PolarHBondContact O-N 2.98Å; C455-C459 VanDerWaalsContact SG-SG 3.62Å; C455-I464 WeakPolarHBondContact SG-CD1 3.21Å; C455-A477 WeakPolarHBondContact CB-O 3.01Å; C455-C478 HydrophobicContact CB-CB 4.01Å; C455-C478 WeakPolarHBondContact CB-SG 3.44Å; C455-C478 VanDerWaalsContact SG-CA 3.52Å; C455-C478 WeakPolarHBondContact SG-CB 3.35Å; C455-C478 CovalentContact SG-SG 2.03Å; C455-C478 PolarHBondContact SG-SG 3.25Å
456A71Confident76.5Confident22 Ų2247.5 Ų47.518%0.18227%0.268CS..BIsolated β-bridgetrans-140.2156.517400000112N454 G458 C459 N475 C478N454-A456 VanDerWaalsContact C-N 3.27Å; N454-A456 PolarHBondContact O-N 3.12Å; A456-G458 PolarHBondContact O-N 3.34Å; A456-C459 HydrophobicContact CB-CB 4.01Å; A456-C459 PolarHBondContact O-N 2.82Å; A456-C459 VanDerWaalsContact O-N 3.11Å; A456-N475 WeakPolarHBondContact CB-ND2 3.41Å; A456-C478 VanDerWaalsContact CB-SG 3.6Å
457E66.5Low75.6Confident132 Ų13250.3 Ų50.362%0.61730%0.296SS*.THydrogen-bonded Turntrans-64126.2174.1-74.3-175.9-14300110.8C459 R902E457-C459 VanDerWaalsContact C-N 3.26Å; E457-C459 PolarHBondContact O-N 3.08Å; E457-R902 WeakPolarHBondContact OE1-CD 3.27Å; E457-R902 IonicContact OE1-CZ 2.69Å; E457-R902 IonicContact OE1-NE 2.72Å; E457-R902 IonicContact OE1-NH1 3.98Å; E457-R902 PolarHBondContact OE1-NH1 3.01Å; E457-R902 IonicContact OE2-CZ 3.97Å; E457-R902 VanDerWaalsContact OE2-CZ 3.26Å; E457-R902 IonicContact OE2-NH1 3.58Å; E457-R902 PolarHBondContact OE2-NH1 3.28Å; E457-R902 IonicContact OE2-NH2 3.52Å
458G70.7Confident74.9Confident53 Ų5358 Ų5855%0.54633%0.327SS..THydrogen-bonded Turntrans79.40.4-175.300000115A456 P460 W463 A472A456-G458 PolarHBondContact O-N 3.34Å; G458-P460 VanDerWaalsContact O-CD 3.25Å; G458-P460 WeakPolarHBondContact O-CD 3.18Å; G458-W463 VanDerWaalsContact O-CZ3 3.3Å; G458-W463 WeakPolarHBondContact O-CZ3 3.28Å; G458-A472 WeakPolarHBondContact O-CB 3.39Å
459C74.7Confident74.7Confident0 Ų059.6 Ų59.60%034%0.339CS..BIsolated β-bridgetrans-10392.5169.9177.20000110.1N454 C455 A456 E457 A472 C473 C478N454-C459 WeakPolarHBondContact CB-O 3.35Å; N454-C459 PolarHBondContact ND2-O 2.77Å; C455-C459 VanDerWaalsContact SG-SG 3.62Å; A456-C459 HydrophobicContact CB-CB 4.01Å; A456-C459 PolarHBondContact O-N 2.82Å; A456-C459 VanDerWaalsContact O-N 3.11Å; E457-C459 VanDerWaalsContact C-N 3.26Å; E457-C459 PolarHBondContact O-N 3.08Å; C459-A472 HydrophobicContact CB-CB 4.29Å; C459-C473 VanDerWaalsContact CA-SG 3.54Å; C459-C473 HydrophobicContact CB-CB 4.05Å; C459-C473 WeakPolarHBondContact CB-SG 3.45Å; C459-C473 WeakPolarHBondContact SG-CA 3.47Å; C459-C473 WeakPolarHBondContact SG-CB 3.46Å; C459-C473 CovalentContact SG-SG 2.03Å; C459-C473 PolarHBondContact SG-SG 3.02Å; C459-C478 VanDerWaalsContact SG-SG 3.61Å
460P76.7Confident74.7Confident36 Ų3660.8 Ų60.823%0.23434%0.344CS..  trans-68.6145.7171.831.5-34.7000110.6G458 S462 W463G458-P460 VanDerWaalsContact O-CD 3.25Å; G458-P460 WeakPolarHBondContact O-CD 3.18Å; P460-S462 PolarHBondContact O-N 2.84Å; P460-W463 VanDerWaalsContact CD-CE3 3.49Å; P460-W463 HydrophobicContact CG-CD2 3.51Å; P460-W463 HydrophobicContact CG-CE3 4.01Å; P460-W463 HydrophobicContact CG-CG 3.72Å; P460-W463 HydrophobicContact CG-CZ2 4.14Å; P460-W463 PolarHBondContact O-N 3.49Å
461G68.7Low74.8Confident17 Ų1766.2 Ų66.218%0.17537%0.37CS..THydrogen-bonded Turntrans-64.313.8175.500000116.1N454 F925N454-G461 PolarHBondContact OD1-N 2.83Å; G461-F925 WeakPolarHBondContact O-CE1 3.44Å; G461-F925 WeakPolarHBondContact O-CZ 3.32Å
462S72.1Confident74.7Confident80 Ų8064 Ų6456%0.55936%0.359SS*.THydrogen-bonded Turntrans-102.4-15.2171.855.80000113.9P460P460-S462 PolarHBondContact O-N 2.84Å
463W74Confident74.6Confident98 Ų9863.3 Ų63.337%0.37135%0.354SS..THydrogen-bonded Turntrans-93.5-30.9176.7-62.1-12.1000111.5G458 P460 K465 D466 D470 A472G458-W463 VanDerWaalsContact O-CZ3 3.3Å; G458-W463 WeakPolarHBondContact O-CZ3 3.28Å; P460-W463 VanDerWaalsContact CD-CE3 3.49Å; P460-W463 HydrophobicContact CG-CD2 3.51Å; P460-W463 HydrophobicContact CG-CE3 4.01Å; P460-W463 HydrophobicContact CG-CG 3.72Å; P460-W463 HydrophobicContact CG-CZ2 4.14Å; P460-W463 PolarHBondContact O-N 3.49Å; W463-K465 PolarHBondContact O-N 2.93Å; W463-D466 WeakPolarHBondContact O-CB 3.26Å; W463-D466 PolarHBondContact O-N 2.96Å; W463-D466 VanDerWaalsContact O-N 3.1Å; W463-D470 VanDerWaalsContact CD2-OD2 3.31Å; W463-D470 HydrophobicContact CE3-CB 4.31Å; W463-D470 VanDerWaalsContact CE3-OD2 3.22Å; W463-A472 HydrophobicContact CZ3-CB 4.31Å
464I73.6Confident74.8Confident21 Ų2164.9 Ų64.911%0.10836%0.361CS..THydrogen-bonded Turntrans-55.2115.9177.7-49.8171.4000110.1C455 D481 F925C455-I464 WeakPolarHBondContact SG-CD1 3.21Å; I464-D481 VanDerWaalsContact CA-OD1 3.26Å; I464-D481 WeakPolarHBondContact CA-OD1 3.22Å; I464-F925 HydrophobicContact CB-CD2 4.46Å; I464-F925 HydrophobicContact CB-CE1 4.36Å; I464-F925 HydrophobicContact CB-CE2 3.67Å; I464-F925 HydrophobicContact CB-CZ 3.63Å; I464-F925 HydrophobicContact CD1-CE2 4.34Å; I464-F925 HydrophobicContact CD1-CZ 4.36Å; I464-F925 HydrophobicContact CG2-CD2 3.98Å; I464-F925 HydrophobicContact CG2-CE2 3.49Å; I464-F925 VanDerWaalsContact CG2-CE2 3.49Å; I464-F925 HydrophobicContact CG2-CZ 4.02Å; I464-F925 VanDerWaalsContact O-CD1 3.29Å; I464-F925 WeakPolarHBondContact O-CD1 3.25Å; I464-F925 WeakPolarHBondContact O-CE1 3.37Å
465K71.6Confident75Confident108 Ų10863.4 Ų63.447%0.4735%0.353SS..THydrogen-bonded Turntrans6335.2179.2-148.7177.1-168.3142.60115.2W463 G467 D481 G482 D484 F925W463-K465 PolarHBondContact O-N 2.93Å; K465-G467 VanDerWaalsContact C-N 3.34Å; K465-D481 PolarHBondContact N-O 2.57Å; K465-G482 WeakPolarHBondContact CD-O 3.5Å; K465-G482 WeakPolarHBondContact CE-O 3.27Å; K465-G482 PolarHBondContact NZ-O 2.92Å; K465-G482 VanDerWaalsContact NZ-O 3.17Å; K465-D484 VanDerWaalsContact C-OD2 3.3Å; K465-D484 VanDerWaalsContact CA-OD2 3.26Å; K465-D484 WeakPolarHBondContact CA-OD2 3.08Å; K465-F925 HydrophobicContact CB-CB 4.07Å; K465-F925 HydrophobicContact CB-CD1 4.43Å; K465-F925 HydrophobicContact CB-CD2 4.45Å; K465-F925 HydrophobicContact CB-CG 4.04Å; K465-F925 HydrophobicContact CD-CB 3.78Å
466D75.4Confident74.9Confident75 Ų7566.4 Ų66.440%0.40137%0.374SS..SBendtrans-84.4-5.1177.785.6-16000114.4W463 Y468 D484W463-D466 WeakPolarHBondContact O-CB 3.26Å; W463-D466 PolarHBondContact O-N 2.96Å; W463-D466 VanDerWaalsContact O-N 3.1Å; D466-Y468 WeakPolarHBondContact OD1-CB 3.3Å; D466-Y468 WeakPolarHBondContact OD1-CD2 3.45Å; D466-Y468 PolarHBondContact OD1-N 3.36Å; D466-D484 PolarHBondContact N-OD2 2.89Å
467G73.6Confident74.7Confident58 Ų5868.4 Ų68.460%0.59839%0.391SS*.SBendtrans106-5.2-175.300000114.4K465 D484K465-G467 VanDerWaalsContact C-N 3.34Å; G467-D484 WeakPolarHBondContact CA-OD2 3.43Å; G467-D484 PolarHBondContact N-OD2 3.24Å
468Y75.8Confident75Confident169 Ų16962.3 Ų62.366%0.66336%0.363SS*.SBendtrans-112.7166.8177-62.7-88.8000111.7D466 D484D466-Y468 WeakPolarHBondContact OD1-CB 3.3Å; D466-Y468 WeakPolarHBondContact OD1-CD2 3.45Å; D466-Y468 PolarHBondContact OD1-N 3.36Å; Y468-D484 WeakPolarHBondContact O-CB 3.5Å
469C84.4Confident75.1Confident53 Ų5362.8 Ų62.836%0.35835%0.353SS..  trans-110.787.1174.3172.50000109.1N474 C485C469-N474 PolarHBondContact SG-ND2 2.95Å; C469-N474 VanDerWaalsContact SG-ND2 3.41Å; C469-C485 WeakPolarHBondContact CA-SG 3.39Å; C469-C485 HydrophobicContact CB-CB 4Å; C469-C485 WeakPolarHBondContact CB-SG 3.24Å; C469-C485 WeakPolarHBondContact SG-CA 3.36Å; C469-C485 WeakPolarHBondContact SG-CB 3.36Å; C469-C485 CovalentContact SG-SG 2.04Å; C469-C485 PolarHBondContact SG-SG 3.29Å
470D82.1Confident75.3Confident53 Ų5368.3 Ų68.328%0.28337%0.374SS..  trans-82.1126.2-173.2-129.6-29.2000111.5W463 A472 C473 N474 D481W463-D470 VanDerWaalsContact CD2-OD2 3.31Å; W463-D470 HydrophobicContact CE3-CB 4.31Å; W463-D470 VanDerWaalsContact CE3-OD2 3.22Å; D470-A472 PolarHBondContact O-N 2.99Å; D470-C473 HydrophobicContact CB-CB 4.44Å; D470-C473 CarbonylContact O-C 3.56Å; D470-C473 PolarHBondContact O-N 3.2Å; D470-N474 WeakPolarHBondContact O-CB 3.34Å; D470-N474 PolarHBondContact O-N 2.89Å; D470-D481 WeakPolarHBondContact CA-OD2 3.47Å; D470-D481 VanDerWaalsContact CB-OD2 3.3Å; D470-D481 WeakPolarHBondContact CB-OD2 3.33Å; D470-D481 PolarHBondContact N-OD2 3.07Å
471K81.3Confident75.4Confident192 Ų19266.6 Ų66.684%0.83536%0.362SS*.THydrogen-bonded Turntrans-64.2-20.9-168.7-173.9173.9176.5-178.40113.7
472A75.7Confident75.6Confident36 Ų3666.6 Ų66.630%0.29836%0.363SS..THydrogen-bonded Turntrans-77.8-33.7173.600000112.7G458 C459 W463 D470 N475G458-A472 WeakPolarHBondContact O-CB 3.39Å; C459-A472 HydrophobicContact CB-CB 4.29Å; W463-A472 HydrophobicContact CZ3-CB 4.31Å; D470-A472 PolarHBondContact O-N 2.99Å; A472-N475 PolarHBondContact O-ND2 3.24Å
473C77.6Confident75.7Confident0 Ų064 Ų640%035%0.349CS..THydrogen-bonded Turntrans-94.8-13.5-177.7-60.30000113.3C459 D470 N475 C478 D481C459-C473 VanDerWaalsContact CA-SG 3.54Å; C459-C473 HydrophobicContact CB-CB 4.05Å; C459-C473 WeakPolarHBondContact CB-SG 3.45Å; C459-C473 WeakPolarHBondContact SG-CA 3.47Å; C459-C473 WeakPolarHBondContact SG-CB 3.46Å; C459-C473 CovalentContact SG-SG 2.03Å; C459-C473 PolarHBondContact SG-SG 3.02Å; D470-C473 HydrophobicContact CB-CB 4.44Å; D470-C473 CarbonylContact O-C 3.56Å; D470-C473 PolarHBondContact O-N 3.2Å; C473-N475 PolarHBondContact O-N 2.96Å; C473-C478 HydrophobicContact CB-CB 4.49Å; C473-C478 WeakPolarHBondContact O-CB 3.13Å; C473-D481 HydrophobicContact CB-CB 4.06Å; C473-D481 WeakPolarHBondContact CB-OD1 3.44Å; C473-D481 PolarHBondContact O-N 2.83Å; C473-D481 VanDerWaalsContact O-N 3.08Å
474N82.1Confident76Confident67 Ų6761.6 Ų61.636%0.35834%0.343SS..  trans-70.266173.8-167.9-0000112.8C469 D470 C485C469-N474 PolarHBondContact SG-ND2 2.95Å; C469-N474 VanDerWaalsContact SG-ND2 3.41Å; D470-N474 WeakPolarHBondContact O-CB 3.34Å; D470-N474 PolarHBondContact O-N 2.89Å; N474-C485 HydrophobicContact CB-CB 4.49Å; N474-C485 WeakPolarHBondContact CB-SG 3.35Å; N474-C485 WeakPolarHBondContact OD1-CB 3.23Å
475N76.6Confident76.3Confident40 Ų4061.3 Ų61.321%0.21434%0.343CS..SBendtrans-151164.3178.870.675.3000110.9A456 A472 C473 A477 C478 D479 W480A456-N475 WeakPolarHBondContact CB-ND2 3.41Å; A472-N475 PolarHBondContact O-ND2 3.24Å; C473-N475 PolarHBondContact O-N 2.96Å; N475-A477 PolarHBondContact O-N 3.06Å; N475-A477 WeakPolarHBondContact OD1-CA 3.23Å; N475-A477 WeakPolarHBondContact OD1-CB 3.39Å; N475-A477 PolarHBondContact OD1-N 2.28Å; N475-C478 PolarHBondContact ND2-SG 2.95Å; N475-C478 VanDerWaalsContact ND2-SG 3.39Å; N475-C478 CarbonylContact O-C 3.59Å; N475-C478 PolarHBondContact O-N 2.76Å; N475-C478 PolarHBondContact OD1-N 2.91Å; N475-D479 PolarHBondContact O-N 2.95Å; N475-W480 PolarHBondContact O-N 2.04Å
476S69.7Low76.2Confident85 Ų8561.5 Ų61.559%0.59435%0.348SS*.G310 helixtrans-68.7-26.7-175.850.90000115.2C478 D479S476-C478 VanDerWaalsContact C-N 3.27Å; S476-C478 PolarHBondContact O-N 2.65Å; S476-D479 PolarHBondContact O-N 3.48Å
477A66.6Low75.1Confident64 Ų6460.5 Ų60.553%0.52936%0.356SS..G310 helixtrans-73.2-23176.400000112.4C455 N475C455-A477 WeakPolarHBondContact CB-O 3.01Å; N475-A477 PolarHBondContact O-N 3.06Å; N475-A477 WeakPolarHBondContact OD1-CA 3.23Å; N475-A477 WeakPolarHBondContact OD1-CB 3.39Å; N475-A477 PolarHBondContact OD1-N 2.28Å
478C72.6Confident73.9Confident4 Ų464.9 Ų64.93%0.02736%0.364CS..G310 helixtrans-103.216.5175.1-62.30000113C455 A456 C459 C473 N475 S476 W480 D481 G482C455-C478 HydrophobicContact CB-CB 4.01Å; C455-C478 WeakPolarHBondContact CB-SG 3.44Å; C455-C478 VanDerWaalsContact SG-CA 3.52Å; C455-C478 WeakPolarHBondContact SG-CB 3.35Å; C455-C478 CovalentContact SG-SG 2.03Å; C455-C478 PolarHBondContact SG-SG 3.25Å; A456-C478 VanDerWaalsContact CB-SG 3.6Å; C459-C478 VanDerWaalsContact SG-SG 3.61Å; C473-C478 HydrophobicContact CB-CB 4.49Å; C473-C478 WeakPolarHBondContact O-CB 3.13Å; N475-C478 PolarHBondContact ND2-SG 2.95Å; N475-C478 VanDerWaalsContact ND2-SG 3.39Å; N475-C478 CarbonylContact O-C 3.59Å; N475-C478 PolarHBondContact O-N 2.76Å; N475-C478 PolarHBondContact OD1-N 2.91Å; S476-C478 VanDerWaalsContact C-N 3.27Å; S476-C478 PolarHBondContact O-N 2.65Å; C478-W480 VanDerWaalsContact C-N 3.29Å; C478-W480 PolarHBondContact O-N 2.84Å; C478-D481 PolarHBondContact O-N 3.32Å; C478-G482 PolarHBondContact O-N 3.05Å
479D71.6Confident72.2Confident62 Ų6261.9 Ų61.933%0.33237%0.374SS..Hα-helixtrans51.341.4-177.9-72.8-50.9000114.7N475 S476 D481 G482 G483 K917N475-D479 PolarHBondContact O-N 2.95Å; S476-D479 PolarHBondContact O-N 3.48Å; D479-D481 VanDerWaalsContact C-N 3.33Å; D479-D481 PolarHBondContact O-N 2.77Å; D479-G482 PolarHBondContact O-N 2.93Å; D479-G483 PolarHBondContact O-N 2.96Å; D479-G483 VanDerWaalsContact O-N 3.08Å; D479-K917 IonicContact OD1-NZ 3.04Å; D479-K917 PolarHBondContact OD1-NZ 2.67Å; D479-K917 WeakPolarHBondContact OD2-CD 3.33Å; D479-K917 WeakPolarHBondContact OD2-CE 3.49Å; D479-K917 IonicContact OD2-NZ 2.71Å; D479-K917 PolarHBondContact OD2-NZ 2.96Å
480W80.6Confident69.9Low116 Ų11662.3 Ų62.344%0.43939%0.388SS..Hα-helixtrans53.753.2-178.1-52.1103.7000111.2N475 C478 G483 D484 C485 L486N475-W480 PolarHBondContact O-N 2.04Å; C478-W480 VanDerWaalsContact C-N 3.29Å; C478-W480 PolarHBondContact O-N 2.84Å; W480-G483 CarbonylContact O-C 3.53Å; W480-G483 PolarHBondContact O-N 3.03Å; W480-D484 PolarHBondContact O-N 3Å; W480-C485 HydrophobicContact CB-CB 4.26Å; W480-C485 WeakPolarHBondContact O-CB 3.32Å; W480-C485 PolarHBondContact O-N 2.65Å; W480-C485 VanDerWaalsContact O-N 3.16Å; W480-L486 HydrophobicContact CB-CD1 4.36Å; W480-L486 HydrophobicContact CB-CD2 3.81Å; W480-L486 HydrophobicContact CB-CG 3.83Å; W480-L486 HydrophobicContact CG-CD2 3.78Å; W480-L486 HydrophobicContact CG-CG 4.29Å
481D78.7Confident67.2Low0 Ų066 Ų660%041%0.407CS..Hα-helixtrans6346.3-176.4-143.2-3.7000114.4I464 K465 D470 C473 C478 D479 G483 D484I464-D481 VanDerWaalsContact CA-OD1 3.26Å; I464-D481 WeakPolarHBondContact CA-OD1 3.22Å; K465-D481 PolarHBondContact N-O 2.57Å; D470-D481 WeakPolarHBondContact CA-OD2 3.47Å; D470-D481 VanDerWaalsContact CB-OD2 3.3Å; D470-D481 WeakPolarHBondContact CB-OD2 3.33Å; D470-D481 PolarHBondContact N-OD2 3.07Å; C473-D481 HydrophobicContact CB-CB 4.06Å; C473-D481 WeakPolarHBondContact CB-OD1 3.44Å; C473-D481 PolarHBondContact O-N 2.83Å; C473-D481 VanDerWaalsContact O-N 3.08Å; C478-D481 PolarHBondContact O-N 3.32Å; D479-D481 VanDerWaalsContact C-N 3.33Å; D479-D481 PolarHBondContact O-N 2.77Å; D481-G483 PolarHBondContact O-N 3.39Å; D481-D484 PolarHBondContact O-N 3.36Å; D481-D484 VanDerWaalsContact O-N 3.16Å
482G72.7Confident64.8Low18 Ų1865.2 Ų65.219%0.18641%0.412CS..Hα-helixtrans64.811.4-177.100000114.8K465 C478 D479K465-G482 WeakPolarHBondContact CD-O 3.5Å; K465-G482 WeakPolarHBondContact CE-O 3.27Å; K465-G482 PolarHBondContact NZ-O 2.92Å; K465-G482 VanDerWaalsContact NZ-O 3.17Å; C478-G482 PolarHBondContact O-N 3.05Å; D479-G482 PolarHBondContact O-N 2.93Å
483G74.1Confident62.7Low25 Ų2573.4 Ų73.426%0.25844%0.435SS..THydrogen-bonded Turntrans114.9-15.1-17800000114.9D479 W480 D481 C485 L486D479-G483 PolarHBondContact O-N 2.96Å; D479-G483 VanDerWaalsContact O-N 3.08Å; W480-G483 CarbonylContact O-C 3.53Å; W480-G483 PolarHBondContact O-N 3.03Å; D481-G483 PolarHBondContact O-N 3.39Å; G483-C485 VanDerWaalsContact C-N 3.34Å; G483-C485 PolarHBondContact O-N 3.41Å; G483-L486 WeakPolarHBondContact O-CB 3.19Å; G483-L486 PolarHBondContact O-N 3Å
484D80.8Confident60.2Low47 Ų4783.1 Ų83.125%0.25148%0.478SS..G310 helixtrans-70.3-30.3-167.7-70.2-3.9000112.7K465 D466 G467 Y468 W480 D481 L486K465-D484 VanDerWaalsContact C-OD2 3.3Å; K465-D484 VanDerWaalsContact CA-OD2 3.26Å; K465-D484 WeakPolarHBondContact CA-OD2 3.08Å; D466-D484 PolarHBondContact N-OD2 2.89Å; G467-D484 WeakPolarHBondContact CA-OD2 3.43Å; G467-D484 PolarHBondContact N-OD2 3.24Å; Y468-D484 WeakPolarHBondContact O-CB 3.5Å; W480-D484 PolarHBondContact O-N 3Å; D481-D484 PolarHBondContact O-N 3.36Å; D481-D484 VanDerWaalsContact O-N 3.16Å; D484-L486 VanDerWaalsContact C-N 3.28Å; D484-L486 PolarHBondContact O-N 3.01Å
485C78.8Confident57.7Low16 Ų1685.9 Ų85.911%0.10850%0.5CS..G310 helixtrans-72.5-15.7172.7-67.90000114.5C469 N474 W480 G483 G487C469-C485 WeakPolarHBondContact CA-SG 3.39Å; C469-C485 HydrophobicContact CB-CB 4Å; C469-C485 WeakPolarHBondContact CB-SG 3.24Å; C469-C485 WeakPolarHBondContact SG-CA 3.36Å; C469-C485 WeakPolarHBondContact SG-CB 3.36Å; C469-C485 CovalentContact SG-SG 2.04Å; C469-C485 PolarHBondContact SG-SG 3.29Å; N474-C485 HydrophobicContact CB-CB 4.49Å; N474-C485 WeakPolarHBondContact CB-SG 3.35Å; N474-C485 WeakPolarHBondContact OD1-CB 3.23Å; W480-C485 HydrophobicContact CB-CB 4.26Å; W480-C485 WeakPolarHBondContact O-CB 3.32Å; W480-C485 PolarHBondContact O-N 2.65Å; W480-C485 VanDerWaalsContact O-N 3.16Å; G483-C485 VanDerWaalsContact C-N 3.34Å; G483-C485 PolarHBondContact O-N 3.41Å; C485-G487 VanDerWaalsContact C-N 3.33Å
486L69.1Low55.2Low112 Ų11289 Ų8959%0.58653%0.531SS*.G310 helixtrans-80-14.8179.4-58.9175.6000112.7W480 G483 D484 I488W480-L486 HydrophobicContact CB-CD1 4.36Å; W480-L486 HydrophobicContact CB-CD2 3.81Å; W480-L486 HydrophobicContact CB-CG 3.83Å; W480-L486 HydrophobicContact CG-CD2 3.78Å; W480-L486 HydrophobicContact CG-CG 4.29Å; G483-L486 WeakPolarHBondContact O-CB 3.19Å; G483-L486 PolarHBondContact O-N 3Å; D484-L486 VanDerWaalsContact C-N 3.28Å; D484-L486 PolarHBondContact O-N 3.01Å; L486-I488 PolarHBondContact O-N 3.29Å
487G52.8Low53.1Low54 Ų5488.5 Ų88.556%0.55754%0.539SS*.G310 helixtrans-77.4-9.7-171.100000116.8C485 A489 G490C485-G487 VanDerWaalsContact C-N 3.33Å; G487-A489 PolarHBondContact O-N 2.68Å; G487-A489 VanDerWaalsContact O-N 3.09Å; G487-G490 PolarHBondContact O-N 2.79Å
488I47.6Very low51.1Low150 Ų15090.5 Ų90.577%0.76956%0.556SS**G310 helixtrans-66-17.8-172.3-58.5179.9000112.3L486L486-I488 PolarHBondContact O-N 3.29Å
489A41.1Very low48.7Very low106 Ų10694.6 Ų94.688%0.87660%0.598SS**G310 helixtrans-98.231-17900000115.6G487G487-A489 PolarHBondContact O-N 2.68Å; G487-A489 VanDerWaalsContact O-N 3.09Å
490G36.4Very low46.4Very low62 Ų6295 Ų9564%0.63962%0.617SS**SBendtrans143.891.9149.700000118.9G487G487-G490 PolarHBondContact O-N 2.79Å
491N25.6Very low43.7Very low131 Ų13196.9 Ų96.970%0.70164%0.641SS**  trans-154.974.2145.5-132.9-24.9000113.3R493N491-R493 PolarHBondContact O-N 3.29Å
492N30Very low41Very low175 Ų175100 Ų10094%0.93667%0.673SS**  trans-68.295.4170.9-93.2-12.6000110.6
493R31.1Very low39.2Very low208 Ų208105.2 Ų105.279%0.78570%0.704SS**  trans-115.639.8171.4-75.8-166.5173-161.9-1.5114.1N491N491-R493 PolarHBondContact O-N 3.29Å
494F25.7Very low36.7Very low203 Ų203108.2 Ų108.289%0.8974%0.735SS**  trans-113.394.5158.6-78.2-76000110.1A496F494-A496 PolarHBondContact O-N 3.19Å
495P29.3Very low34Very low126 Ų126109.9 Ų109.982%0.81876%0.763SS**  trans-75.7108.6172.630.1-31.9000110.1G497P495-G497 PolarHBondContact O-N 2.62Å
496A25.5Very low31.4Very low106 Ų106114.1 Ų114.188%0.87680%0.799SS**  trans-84.5105.8-178.600000112.4F494F494-A496 PolarHBondContact O-N 3.19Å
497G23.8Very low29.3Very low74 Ų74113 Ų11376%0.76381%0.814SS**  trans89.7116.1155.500000117.9P495P495-G497 PolarHBondContact O-N 2.62Å
498A24.7Very low27.9Very low106 Ų106113.8 Ų113.888%0.87682%0.823SS**  167.9108.595.900000113.1
499G23Very low27.1Very low89 Ų89110.8 Ų110.892%0.91881%0.813SS**  trans76.1145.1165.400000117
500G22.8Very low26.2Very low71 Ų71111.2 Ų111.273%0.73281%0.805SS**  cis169.6153.7-10.100000113.7
501V23.7Very low25.7Very low155 Ų155120.8 Ų120.894%0.93982%0.822SS**  trans74.6134.3172.1-163.60000116.4
502G22.3Very low25.7Very low65 Ų65121.8 Ų121.867%0.6782%0.822SS**  trans-102.4-137.9173.100000112.2
503P34.5Very low25.3Very low129 Ų129122 Ų12284%0.83882%0.822SS**  cis-137.1150.66.740.1-22.3000117.3
504G23Very low24.9Very low87 Ų87115.6 Ų115.690%0.89782%0.82SS**  trans72145.2158.200000118.4
505G23.4Very low24.7Very low82 Ų82109.5 Ų109.585%0.84581%0.814SS**  cis138.8111.3-1700000115.4
506A25.1Very low24.5Very low105 Ų105113.6 Ų113.687%0.86882%0.82SS**  trans179.9128.5152.400000113
507G23.6Very low24.3Very low88 Ų88112.5 Ų112.591%0.90782%0.818SS**  trans66.5131.915900000118.7
508G24.8Very low24.3Very low72 Ų72112.3 Ų112.374%0.74282%0.817SS**  cis168.9-176.4-4.400000109.5
509P29.9Very low24.6Very low87 Ų87116.1 Ų116.157%0.56582%0.82SS**  cis-102.5167.8-16.738.5-29.9000112.3E1016P509-E1016 WeakPolarHBondContact CD-OE2 3.41Å; P509-E1016 WeakPolarHBondContact CG-OE2 3.35Å
510V23.2Very low24.8Very low114 Ų114115.3 Ų115.369%0.69181%0.812SS**  trans-135.1129.9172-179.80000108.7Q512V510-Q512 VanDerWaalsContact C-N 3.28Å; V510-Q512 HydrophobicContact CG1-CB 3.97Å; V510-Q512 HydrophobicContact CG1-CG 3.96Å; V510-Q512 PolarHBondContact O-N 3.31Å
511W23.9Very low25.2Very low264 Ų264115.4 Ų115.4100%181%0.813SS**  trans-76.679.7168.5-80.787.6000110.2
512Q25.9Very low26Very low151 Ų151113.2 Ų113.271%0.70680%0.8SS**  trans-143.2112.6171.4-88.7-164.6-24.900112.9V510V510-Q512 VanDerWaalsContact C-N 3.28Å; V510-Q512 HydrophobicContact CG1-CB 3.97Å; V510-Q512 HydrophobicContact CG1-CG 3.96Å; V510-Q512 PolarHBondContact O-N 3.31Å
513I22.4Very low27.7Very low181 Ų181113.3 Ų113.393%0.92879%0.79SS**  trans-144.1133.8137.4-50.3179.5000104.7
514G22.5Very low29.7Very low72 Ų72113.4 Ų113.474%0.74278%0.775SS**  cis166.7142.5-5.600000108.7
515G22.1Very low32.6Very low75 Ų75110.1 Ų110.177%0.77374%0.738SS**  cis-166.2-155.44.300000113.2
516F24.7Very low35.4Very low213 Ų213108.8 Ų108.893%0.93471%0.711SS**  trans-65.7145.8-172-81.7-121000113.9
517G21.1Very low37.8Very low82 Ų82112.2 Ų112.285%0.84571%0.71SS**  trans-160.7-19.4178.100000118.2
518G24.3Very low40.2Very low71 Ų71110.7 Ų110.773%0.73269%0.694SS**  trans82.5163.8176.800000115.8
519I31Very low42.9Very low185 Ų185107.3 Ų107.395%0.94966%0.659SS**SBendtrans28.886166.9-43.7178.9000116.2
520G26.4Very low45.2Very low73 Ų73104.3 Ų104.375%0.75364%0.641SS**  trans-177126.8166.300000112.1
521G32Very low47.8Very low72 Ų72101.5 Ų101.574%0.74262%0.622SS**  trans-69.5152167.600000110.7S523G521-S523 PolarHBondContact O-N 3.43Å
522T41Very low50.3Low110 Ų11093.2 Ų93.268%0.67561%0.605SS**  trans-60.299.4175.4390000110.2Y524T522-Y524 WeakPolarHBondContact O-CD2 3.48Å; T522-Y524 PolarHBondContact O-N 2.88Å; T522-Y524 VanDerWaalsContact O-N 3.08Å
523S57.9Low52.9Low66 Ų6691.3 Ų91.346%0.46259%0.591SS.*  trans-71106.3-178.257.40000109.6G521 R607G521-S523 PolarHBondContact O-N 3.43Å; S523-R607 PolarHBondContact O-NH1 2.89Å; S523-R607 PolarHBondContact O-NH2 3.22Å; S523-R607 PolarHBondContact OG-NH2 2.86Å
524Y75Confident55.9Low131 Ų13182.9 Ų82.951%0.51455%0.548SS..  trans-68.5151.5165.1-56.3-79.1000109.8T522 N526 C529T522-Y524 WeakPolarHBondContact O-CD2 3.48Å; T522-Y524 PolarHBondContact O-N 2.88Å; T522-Y524 VanDerWaalsContact O-N 3.08Å; Y524-N526 WeakPolarHBondContact CB-O 3.39Å; Y524-N526 PolarHBondContact O-N 2.88Å; Y524-C529 VanDerWaalsContact CD1-O 3.23Å; Y524-C529 WeakPolarHBondContact CD1-O 3.42Å
525C83.7Confident58.7Low18 Ų1880.6 Ų80.612%0.12252%0.522CS..SBendtrans-72.9-20.9174.958.30000112.1C529 S547 C548C525-C529 VanDerWaalsContact SG-SG 3.61Å; C525-S547 WeakPolarHBondContact O-CB 3.15Å; C525-S547 PolarHBondContact O-OG 3.21Å; C525-C548 HydrophobicContact CB-CB 3.94Å; C525-C548 WeakPolarHBondContact CB-SG 3.2Å; C525-C548 VanDerWaalsContact SG-CA 3.54Å; C525-C548 WeakPolarHBondContact SG-CB 3.44Å; C525-C548 CovalentContact SG-SG 2.04Å; C525-C548 PolarHBondContact SG-SG 3.03Å
526N83.6Confident61.5Low54 Ų5479.9 Ų79.929%0.28950%0.5SS..SBendtrans-149.2157.6168.2-170.524.5000110.1Y524 G528 C529 A542 V545Y524-N526 WeakPolarHBondContact CB-O 3.39Å; Y524-N526 PolarHBondContact O-N 2.88Å; N526-G528 PolarHBondContact O-N 2.92Å; N526-C529 HydrophobicContact CB-CB 4.03Å; N526-C529 PolarHBondContact O-N 3.47Å; N526-A542 PolarHBondContact ND2-O 3.16Å; N526-V545 HydrophobicContact CB-CG2 3.66Å
527Q75.9Confident64.1Low178 Ų17878.3 Ų78.383%0.83249%0.493SS*.THydrogen-bonded Turntrans-62.9126.6171.4-69.6-177.1-15.600109.8C529Q527-C529 VanDerWaalsContact C-N 3.33Å; Q527-C529 PolarHBondContact O-N 3.38Å
528G73.7Confident66.9Low56 Ų5681.3 Ų81.358%0.57748%0.483SS*.THydrogen-bonded Turntrans80.5-0.3-176.800000115.8N526 W533 A542N526-G528 PolarHBondContact O-N 2.92Å; G528-W533 WeakPolarHBondContact O-CZ3 3.49Å; G528-A542 WeakPolarHBondContact O-CB 3.23Å
529C80.2Confident69.7Low0 Ų080.7 Ų80.70%047%0.467CS..  trans-98106.3172.5177.10000111Y524 C525 N526 Q527 L534 A542 C543Y524-C529 VanDerWaalsContact CD1-O 3.23Å; Y524-C529 WeakPolarHBondContact CD1-O 3.42Å; C525-C529 VanDerWaalsContact SG-SG 3.61Å; N526-C529 HydrophobicContact CB-CB 4.03Å; N526-C529 PolarHBondContact O-N 3.47Å; Q527-C529 VanDerWaalsContact C-N 3.33Å; Q527-C529 PolarHBondContact O-N 3.38Å; C529-L534 VanDerWaalsContact SG-CD2 3.59Å; C529-A542 HydrophobicContact CB-CB 4.34Å; C529-C543 VanDerWaalsContact CA-SG 3.51Å; C529-C543 HydrophobicContact CB-CB 4.05Å; C529-C543 WeakPolarHBondContact CB-SG 3.2Å; C529-C543 WeakPolarHBondContact SG-CA 3.41Å; C529-C543 WeakPolarHBondContact SG-CB 3.34Å; C529-C543 CovalentContact SG-SG 2.03Å; C529-C543 PolarHBondContact SG-SG 2.67Å
530A78.1Confident72.2Confident24 Ų2474.2 Ų74.220%0.19843%0.434CS..  trans-74.3144.8175.900000111.7S532 W533A530-S532 WeakPolarHBondContact CB-OG 3.33Å; A530-S532 PolarHBondContact O-N 2.89Å; A530-W533 HydrophobicContact CB-CD2 4.13Å; A530-W533 HydrophobicContact CB-CG 4.16Å; A530-W533 PolarHBondContact O-N 3.35Å
531N78.4Confident75Confident56 Ų5679.4 Ų79.430%0.29944%0.439SS..THydrogen-bonded Turntrans-61.8-11.6174.8-79-17.2000113.7R607N531-R607 PolarHBondContact OD1-NH1 3.5Å
532S76.3Confident77.3Confident90 Ų9077.2 Ų77.263%0.62941%0.414SS*.THydrogen-bonded Turntrans-90.8-10.6176.652.60000114.7A530A530-S532 WeakPolarHBondContact CB-OG 3.33Å; A530-S532 PolarHBondContact O-N 2.89Å
533W81.1Confident79.4Confident111 Ų11172 Ų7242%0.4238%0.382SS..THydrogen-bonded Turntrans-93.5-30175.5-63.5-12.2000111.3G528 A530 A535 D536 D540 A542G528-W533 WeakPolarHBondContact O-CZ3 3.49Å; A530-W533 HydrophobicContact CB-CD2 4.13Å; A530-W533 HydrophobicContact CB-CG 4.16Å; A530-W533 PolarHBondContact O-N 3.35Å; W533-A535 PolarHBondContact O-N 3.39Å; W533-A535 VanDerWaalsContact O-N 3.1Å; W533-D536 WeakPolarHBondContact O-CB 3.3Å; W533-D536 PolarHBondContact O-N 3.08Å; W533-D536 VanDerWaalsContact O-N 3.08Å; W533-D540 WeakPolarHBondContact CB-OD2 3.3Å; W533-D540 HydrophobicContact CE3-CB 4.35Å; W533-A542 HydrophobicContact CZ3-CB 4.49Å
534L84.2Confident80.9Confident4 Ų471.7 Ų71.72%0.02138%0.375CS..THydrogen-bonded Turntrans-47.8116.4171.4-61.7179000111.6C529 C543 C548 D551 V552 R607 H608 L621C529-L534 VanDerWaalsContact SG-CD2 3.59Å; L534-C543 HydrophobicContact CD2-CB 4.26Å; L534-C548 HydrophobicContact CD2-CB 4Å; L534-D551 WeakPolarHBondContact CA-OD1 3Å; L534-V552 HydrophobicContact CB-CG2 3.83Å; L534-V552 HydrophobicContact CD1-CG2 4.43Å; L534-V552 HydrophobicContact CD2-CG2 3.91Å; L534-V552 HydrophobicContact CG-CG2 4.27Å; L534-R607 HydrophobicContact CD1-CG 4.41Å; L534-H608 HydrophobicContact CB-CB 4.4Å; L534-H608 HydrophobicContact CD1-CB 4.26Å; L534-H608 PolarHBondContact O-CE1 3.2Å; L534-H608 VanDerWaalsContact O-CE1 3.26Å; L534-H608 PolarHBondContact O-NE2 3.21Å; L534-L621 HydrophobicContact CD1-CD2 3.97Å; L534-L621 HydrophobicContact CD2-CD2 4.5Å
535A83.1Confident81.5Confident23 Ų2367.3 Ų67.319%0.1936%0.362CS..THydrogen-bonded Turntrans62.430.1-18000000116.8W533 K537 V552 D554 S610W533-A535 PolarHBondContact O-N 3.39Å; W533-A535 VanDerWaalsContact O-N 3.1Å; A535-K537 PolarHBondContact O-N 3.11Å; A535-V552 HydrophobicContact CB-CB 4.21Å; A535-D554 VanDerWaalsContact CA-OD2 3.29Å; A535-D554 WeakPolarHBondContact CA-OD2 3.39Å; A535-S610 VanDerWaalsContact CB-CB 3.47Å
536D80.1Confident81.7Confident61 Ų6169.4 Ų69.433%0.32637%0.372SS..SBendtrans-76.7-3.9179.193.1-25000114.8W533 F538W533-D536 WeakPolarHBondContact O-CB 3.3Å; W533-D536 PolarHBondContact O-N 3.08Å; W533-D536 VanDerWaalsContact O-N 3.08Å; D536-F538 WeakPolarHBondContact OD1-CA 3.31Å; D536-F538 WeakPolarHBondContact OD1-CB 3.34Å; D536-F538 WeakPolarHBondContact OD1-CD2 3.41Å; D536-F538 PolarHBondContact OD1-N 3.21Å
537K80Confident81.9Confident179 Ų17969.5 Ų69.578%0.77838%0.376SS*.SBendtrans88.6-1.7-173-51.4149.4-167.9154.50116A535 D554A535-K537 PolarHBondContact O-N 3.11Å; K537-D554 VanDerWaalsContact CA-OD2 3.23Å; K537-D554 WeakPolarHBondContact CA-OD2 3.37Å; K537-D554 PolarHBondContact N-OD2 2.92Å
538F78.8Confident82.6Confident145 Ų14561 Ų6164%0.63634%0.337SS*.SBendtrans-97-178.4166.4-62.7-85.4000110.3D536 D554D536-F538 WeakPolarHBondContact OD1-CA 3.31Å; D536-F538 WeakPolarHBondContact OD1-CB 3.34Å; D536-F538 WeakPolarHBondContact OD1-CD2 3.41Å; D536-F538 PolarHBondContact OD1-N 3.21Å; F538-D554 WeakPolarHBondContact O-CB 3.38Å
539C83.8Confident83.2Confident59 Ų5958.6 Ų58.640%0.39931%0.312SS..  trans-127.490.9175.4169.80000107.4C555C539-C555 WeakPolarHBondContact CA-SG 3.48Å; C539-C555 HydrophobicContact CB-CB 4Å; C539-C555 WeakPolarHBondContact CB-SG 3.44Å; C539-C555 WeakPolarHBondContact SG-CA 3.49Å; C539-C555 WeakPolarHBondContact SG-CB 3.23Å; C539-C555 CovalentContact SG-SG 2.04Å; C539-C555 PolarHBondContact SG-SG 3.43Å
540D84Confident83.7Confident48 Ų4859.2 Ų59.226%0.25732%0.315SS..  trans-78129.3-175.1-94.1-30.7000110.9W533 A542 C543 N544 D551W533-D540 WeakPolarHBondContact CB-OD2 3.3Å; W533-D540 HydrophobicContact CE3-CB 4.35Å; D540-A542 PolarHBondContact O-N 2.71Å; D540-C543 HydrophobicContact CB-CB 4.2Å; D540-C543 CarbonylContact O-C 3.59Å; D540-C543 PolarHBondContact O-N 2.93Å; D540-N544 WeakPolarHBondContact O-CB 3.27Å; D540-N544 PolarHBondContact O-N 3.29Å; D540-D551 PolarHBondContact N-OD2 2.87Å
541Q84.3Confident84.3Confident182 Ų18258 Ų5885%0.8531%0.305SS*.THydrogen-bonded Turntrans-59.8-24.9-175.9-170.4175.56.300113.1
542A79.9Confident84.9Confident27 Ų2755.5 Ų55.522%0.22329%0.292CS..THydrogen-bonded Turntrans-78.2-31.317400000113.3N526 G528 C529 W533 D540N526-A542 PolarHBondContact ND2-O 3.16Å; G528-A542 WeakPolarHBondContact O-CB 3.23Å; C529-A542 HydrophobicContact CB-CB 4.34Å; W533-A542 HydrophobicContact CZ3-CB 4.49Å; D540-A542 PolarHBondContact O-N 2.71Å
543C85.3Confident85.2Confident0 Ų051.2 Ų51.20%026%0.262CS..THydrogen-bonded Turntrans-94.5-14.6-179.4-63.10000113.3C529 L534 D540 V545 C548 D551C529-C543 VanDerWaalsContact CA-SG 3.51Å; C529-C543 HydrophobicContact CB-CB 4.05Å; C529-C543 WeakPolarHBondContact CB-SG 3.2Å; C529-C543 WeakPolarHBondContact SG-CA 3.41Å; C529-C543 WeakPolarHBondContact SG-CB 3.34Å; C529-C543 CovalentContact SG-SG 2.03Å; C529-C543 PolarHBondContact SG-SG 2.67Å; L534-C543 HydrophobicContact CD2-CB 4.26Å; D540-C543 HydrophobicContact CB-CB 4.2Å; D540-C543 CarbonylContact O-C 3.59Å; D540-C543 PolarHBondContact O-N 2.93Å; C543-V545 PolarHBondContact O-N 3.13Å; C543-C548 VanDerWaalsContact O-CB 3.26Å; C543-C548 WeakPolarHBondContact O-CB 3.16Å; C543-D551 HydrophobicContact CB-CB 4.08Å; C543-D551 WeakPolarHBondContact CB-OD1 2.73Å; C543-D551 WeakPolarHBondContact CB-OD2 3.35Å; C543-D551 PolarHBondContact O-N 2.84Å
544N89.4Confident85.4Confident59 Ų5948.2 Ų48.232%0.31625%0.254SS..  trans-72.157.8173.1-166.47.2000112.9D540 C555D540-N544 WeakPolarHBondContact O-CB 3.27Å; D540-N544 PolarHBondContact O-N 3.29Å; N544-C555 HydrophobicContact CB-CB 4.47Å; N544-C555 WeakPolarHBondContact CB-SG 3.45Å; N544-C555 WeakPolarHBondContact OD1-CB 2.85Å
545V88.4Confident85.3Confident40 Ų4049.4 Ų49.424%0.24226%0.262CS..SBendtrans-140.1154.2177.9-64.40000111.8N526 C543 S547 C548 G549 F550N526-V545 HydrophobicContact CB-CG2 3.66Å; C543-V545 PolarHBondContact O-N 3.13Å; V545-S547 WeakPolarHBondContact CG2-OG 3.04Å; V545-S547 PolarHBondContact O-N 2.8Å; V545-S547 VanDerWaalsContact O-N 3.12Å; V545-C548 HydrophobicContact CG2-CB 4.1Å; V545-C548 PolarHBondContact O-N 2.63Å; V545-G549 PolarHBondContact O-N 3.14Å; V545-F550 PolarHBondContact O-N 2.64Å
546L87.6Confident84.8Confident62 Ų6248.8 Ų48.833%0.32526%0.259SS..THydrogen-bonded Turntrans-59.6-23.8-177.6-17859000114.1F550 E562 L563 R583L546-F550 HydrophobicContact CB-CE1 4.34Å; L546-F550 HydrophobicContact CB-CE2 4.08Å; L546-F550 HydrophobicContact CB-CZ 3.67Å; L546-F550 HydrophobicContact CD1-CE2 3.54Å; L546-F550 HydrophobicContact CD1-CZ 3.9Å; L546-F550 HydrophobicContact CG-CE2 4.41Å; L546-F550 HydrophobicContact CG-CZ 4.34Å; L546-E562 HydrophobicContact CD1-CB 3.7Å; L546-L563 HydrophobicContact CD1-CD2 4.06Å; L546-R583 WeakPolarHBondContact O-CD 3.38Å; L546-R583 PolarHBondContact O-NH1 2.88Å
547S87.7Confident84.6Confident55 Ų5550.9 Ų50.939%0.38527%0.266SS..THydrogen-bonded Turntrans-77.4-24.2175.354.70000113.7C525 V545C525-S547 WeakPolarHBondContact O-CB 3.15Å; C525-S547 PolarHBondContact O-OG 3.21Å; V545-S547 WeakPolarHBondContact CG2-OG 3.04Å; V545-S547 PolarHBondContact O-N 2.8Å; V545-S547 VanDerWaalsContact O-N 3.12Å
548C90.4Very high84.4Confident0 Ų051.2 Ų51.20%027%0.27CS..THydrogen-bonded Turntrans-97.64.9174.6-640000112.9C525 L534 C543 V545 F550 V552C525-C548 HydrophobicContact CB-CB 3.94Å; C525-C548 WeakPolarHBondContact CB-SG 3.2Å; C525-C548 VanDerWaalsContact SG-CA 3.54Å; C525-C548 WeakPolarHBondContact SG-CB 3.44Å; C525-C548 CovalentContact SG-SG 2.04Å; C525-C548 PolarHBondContact SG-SG 3.03Å; L534-C548 HydrophobicContact CD2-CB 4Å; C543-C548 VanDerWaalsContact O-CB 3.26Å; C543-C548 WeakPolarHBondContact O-CB 3.16Å; V545-C548 HydrophobicContact CG2-CB 4.1Å; V545-C548 PolarHBondContact O-N 2.63Å; C548-F550 VanDerWaalsContact C-N 3.33Å; C548-V552 PolarHBondContact O-N 2.92Å
549G86.6Confident84.4Confident6 Ų647.7 Ų47.76%0.06226%0.256CS..Hα-helixtrans68.829-176.400000113.9V545 V552 G553V545-G549 PolarHBondContact O-N 3.14Å; G549-V552 PolarHBondContact O-N 2.98Å; G549-G553 PolarHBondContact O-N 2.92Å
550F91.1Very high84.2Confident12 Ų1245.1 Ų45.15%0.05324%0.238CC..Hα-helixtrans5364.4-173.2-52.9-81.5000111.7V545 L546 C548 V552 G553 C555 H559 E562 L563V545-F550 PolarHBondContact O-N 2.64Å; L546-F550 HydrophobicContact CB-CE1 4.34Å; L546-F550 HydrophobicContact CB-CE2 4.08Å; L546-F550 HydrophobicContact CB-CZ 3.67Å; L546-F550 HydrophobicContact CD1-CE2 3.54Å; L546-F550 HydrophobicContact CD1-CZ 3.9Å; L546-F550 HydrophobicContact CG-CE2 4.41Å; L546-F550 HydrophobicContact CG-CZ 4.34Å; C548-F550 VanDerWaalsContact C-N 3.33Å; F550-V552 VanDerWaalsContact C-N 3.26Å; F550-V552 PolarHBondContact O-N 3.2Å; F550-G553 PolarHBondContact O-N 2.76Å; F550-C555 HydrophobicContact CB-CB 4.25Å; F550-H559 HydrophobicContact CD1-CB 3.96Å; F550-H559 HydrophobicContact CD2-CB 3.62Å; F550-H559 HydrophobicContact CE1-CB 3.81Å; F550-H559 AromaticContact CE1-CG 3.68Å; F550-H559 AromaticContact CE1-ND1 3.95Å; F550-H559 HydrophobicContact CE2-CB 3.47Å; F550-H559 VanDerWaalsContact CE2-CB 3.47Å; F550-H559 HydrophobicContact CG-CB 3.86Å; F550-H559 HydrophobicContact CZ-CB 3.56Å; F550-H559 AromaticContact CZ-CG 3.81Å; F550-H559 AromaticContact CZ-ND1 3.96Å; F550-E562 HydrophobicContact CE2-CB 4.19Å; F550-L563 HydrophobicContact CD2-CD1 4.36Å; F550-L563 HydrophobicContact CD2-CD2 4.13Å; F550-L563 HydrophobicContact CD2-CG 4.33Å; F550-L563 HydrophobicContact CE2-CD2 4.2Å
551D89.9Confident84Confident0 Ų046.7 Ų46.70%027%0.265CS..Hα-helixtrans55.538.7-177.3-137.8-12.3000114.1L534 D540 C543 G553 D554L534-D551 WeakPolarHBondContact CA-OD1 3Å; D540-D551 PolarHBondContact N-OD2 2.87Å; C543-D551 HydrophobicContact CB-CB 4.08Å; C543-D551 WeakPolarHBondContact CB-OD1 2.73Å; C543-D551 WeakPolarHBondContact CB-OD2 3.35Å; C543-D551 PolarHBondContact O-N 2.84Å; D551-G553 PolarHBondContact O-N 3.28Å; D551-D554 PolarHBondContact O-N 2.85Å
552V91.4Very high84.1Confident2 Ų242.8 Ų42.81%0.01225%0.247CC..Hα-helixtrans49.835.4-175.1-160.90000112L534 A535 C548 G549 F550 H608 S610 H619 L621L534-V552 HydrophobicContact CB-CG2 3.83Å; L534-V552 HydrophobicContact CD1-CG2 4.43Å; L534-V552 HydrophobicContact CD2-CG2 3.91Å; L534-V552 HydrophobicContact CG-CG2 4.27Å; A535-V552 HydrophobicContact CB-CB 4.21Å; C548-V552 PolarHBondContact O-N 2.92Å; G549-V552 PolarHBondContact O-N 2.98Å; F550-V552 VanDerWaalsContact C-N 3.26Å; F550-V552 PolarHBondContact O-N 3.2Å; V552-H608 HydrophobicContact CG2-CB 4.31Å; V552-S610 PolarHBondContact O-OG 3.24Å; V552-H619 HydrophobicContact CG1-CB 3.7Å; V552-H619 VanDerWaalsContact O-CB 3.28Å; V552-H619 WeakPolarHBondContact O-CB 3.31Å; V552-L621 HydrophobicContact CG2-CB 4.28Å; V552-L621 HydrophobicContact CG2-CD2 3.91Å
553G82.7Confident84.5Confident0 Ų042.1 Ų42.10%024%0.24CC..THydrogen-bonded Turntrans103.9-7.7169.500000117.1G549 F550 D551G549-G553 PolarHBondContact O-N 2.92Å; F550-G553 PolarHBondContact O-N 2.76Å; D551-G553 PolarHBondContact O-N 3.28Å
554D85.1Confident84.8Confident48 Ų4845 Ų4526%0.25725%0.253SS..THydrogen-bonded Turntrans-75.4-27.7-178.6-79.4-32.3000113.2A535 K537 F538 D551 G556A535-D554 VanDerWaalsContact CA-OD2 3.29Å; A535-D554 WeakPolarHBondContact CA-OD2 3.39Å; K537-D554 VanDerWaalsContact CA-OD2 3.23Å; K537-D554 WeakPolarHBondContact CA-OD2 3.37Å; K537-D554 PolarHBondContact N-OD2 2.92Å; F538-D554 WeakPolarHBondContact O-CB 3.38Å; D551-D554 PolarHBondContact O-N 2.85Å; D554-G556 PolarHBondContact O-N 3.24Å
555C82Confident85Confident29 Ų2947.8 Ų47.820%0.19626%0.259CS..THydrogen-bonded Turntrans-67.9-0176.3-74.30000116.1C539 N544 F550C539-C555 WeakPolarHBondContact CA-SG 3.48Å; C539-C555 HydrophobicContact CB-CB 4Å; C539-C555 WeakPolarHBondContact CB-SG 3.44Å; C539-C555 WeakPolarHBondContact SG-CA 3.49Å; C539-C555 WeakPolarHBondContact SG-CB 3.23Å; C539-C555 CovalentContact SG-SG 2.04Å; C539-C555 PolarHBondContact SG-SG 3.43Å; N544-C555 HydrophobicContact CB-CB 4.47Å; N544-C555 WeakPolarHBondContact CB-SG 3.45Å; N544-C555 WeakPolarHBondContact OD1-CB 2.85Å; F550-C555 HydrophobicContact CB-CB 4.25Å
556G71.9Confident85.2Confident11 Ų1146.9 Ų46.911%0.11325%0.254CS..  trans97.7175.2166.300000116D554 E558 F560D554-G556 PolarHBondContact O-N 3.24Å; G556-E558 PolarHBondContact O-N 3.15Å; G556-F560 WeakPolarHBondContact O-CD1 2.97Å; G556-F560 WeakPolarHBondContact O-CE1 3.34Å
557H76.6Confident85.4Confident104 Ų10446 Ų4648%0.48125%0.251SS..G310 helixtrans-76.9-17.7-161.6-167.450.2000115.5H559 F560 W615H557-H559 PolarHBondContact O-N 2.98Å; H557-H559 VanDerWaalsContact O-N 3.15Å; H557-F560 AromaticContact CE1-CD2 3.63Å; H557-F560 AromaticContact CE1-CG 3.95Å; H557-F560 AromaticContact ND1-CD2 3.08Å; H557-F560 WeakPolarHBondContact ND1-CD2 3.42Å; H557-F560 AromaticContact ND1-CE2 3.61Å; H557-F560 AromaticContact ND1-CG 3.31Å; H557-F560 VanDerWaalsContact ND1-CG 3.31Å; H557-F560 WeakPolarHBondContact ND1-CG 2.84Å; H557-F560 WeakPolarHBondContact O-CB 3.41Å; H557-F560 PolarHBondContact O-N 2.91Å; H557-W615 HydrophobicContact CB-CD2 4.24Å; H557-W615 HydrophobicContact CB-CE3 4.1Å; H557-W615 HydrophobicContact CB-CH2 4.43Å; H557-W615 HydrophobicContact CB-CZ3 4.2Å
558E75.3Confident85.7Confident186 Ų18643.6 Ų43.687%0.86923%0.234SC*.G310 helixtrans-59.2-33.7-168.7-58.4-166.7165.300113.2G556G556-E558 PolarHBondContact O-N 3.15Å
559H78.8Confident85.6Confident72 Ų7248.1 Ų48.133%0.33326%0.257SS..G310 helixtrans-97.74.5-179.7-63-75.9000114.8F550 H557 G561 E562F550-H559 HydrophobicContact CD1-CB 3.96Å; F550-H559 HydrophobicContact CD2-CB 3.62Å; F550-H559 HydrophobicContact CE1-CB 3.81Å; F550-H559 AromaticContact CE1-CG 3.68Å; F550-H559 AromaticContact CE1-ND1 3.95Å; F550-H559 HydrophobicContact CE2-CB 3.47Å; F550-H559 VanDerWaalsContact CE2-CB 3.47Å; F550-H559 HydrophobicContact CG-CB 3.86Å; F550-H559 HydrophobicContact CZ-CB 3.56Å; F550-H559 AromaticContact CZ-CG 3.81Å; F550-H559 AromaticContact CZ-ND1 3.96Å; H557-H559 PolarHBondContact O-N 2.98Å; H557-H559 VanDerWaalsContact O-N 3.15Å; H559-G561 PolarHBondContact O-N 2.77Å; H559-E562 IonicContact CE1-OE1 3.4Å; H559-E562 IonicContact CG-OE1 3.67Å; H559-E562 IonicContact ND1-OE1 2.62Å; H559-E562 PolarHBondContact ND1-OE1 2.83Å; H559-E562 WeakPolarHBondContact O-CB 3.02Å; H559-E562 PolarHBondContact O-N 2.9Å
560F80.5Confident85.4Confident5 Ų555 Ų552%0.02228%0.282CS..G310 helixtrans-64-17-179.1-80.931.3000113.1G556 H557 E562 L563 Y585 W615 H619G556-F560 WeakPolarHBondContact O-CD1 2.97Å; G556-F560 WeakPolarHBondContact O-CE1 3.34Å; H557-F560 AromaticContact CE1-CD2 3.63Å; H557-F560 AromaticContact CE1-CG 3.95Å; H557-F560 AromaticContact ND1-CD2 3.08Å; H557-F560 WeakPolarHBondContact ND1-CD2 3.42Å; H557-F560 AromaticContact ND1-CE2 3.61Å; H557-F560 AromaticContact ND1-CG 3.31Å; H557-F560 VanDerWaalsContact ND1-CG 3.31Å; H557-F560 WeakPolarHBondContact ND1-CG 2.84Å; H557-F560 WeakPolarHBondContact O-CB 3.41Å; H557-F560 PolarHBondContact O-N 2.91Å; F560-E562 PolarHBondContact O-N 3.25Å; F560-L563 PolarHBondContact O-N 3.18Å; F560-Y585 HydrophobicContact CB-CE1 4.25Å; F560-Y585 HydrophobicContact CD2-CD2 4.16Å; F560-Y585 HydrophobicContact CD2-CE1 4.44Å; F560-Y585 AromaticContact CD2-CE2 3.7Å; F560-Y585 HydrophobicContact CD2-CE2 3.7Å; F560-Y585 AromaticContact CD2-CZ 3.85Å; F560-Y585 HydrophobicContact CE2-CD2 4.42Å; F560-Y585 HydrophobicContact CE2-CE2 4.3Å; F560-Y585 WeakPolarHBondContact O-CE1 3.2Å; F560-W615 HydrophobicContact CE2-CB 3.98Å; F560-W615 HydrophobicContact CE2-CG 4.41Å; F560-W615 HydrophobicContact CZ-CB 4.14Å; F560-W615 AromaticContact CZ-CD1 3.83Å; F560-W615 HydrophobicContact CZ-CG 4.13Å; F560-H619 AromaticContact CD1-CE1 3.34Å; F560-H619 WeakPolarHBondContact CD1-CE1 3.32Å; F560-H619 AromaticContact CD2-CE1 3.38Å; F560-H619 WeakPolarHBondContact CD2-CE1 3.36Å; F560-H619 AromaticContact CE1-CE1 2.97Å; F560-H619 WeakPolarHBondContact CE1-CE1 3.35Å; F560-H619 AromaticContact CE1-NE2 3.74Å; F560-H619 AromaticContact CE2-CE1 3.05Å; F560-H619 WeakPolarHBondContact CE2-CE1 3.39Å; F560-H619 AromaticContact CE2-NE2 3Å; F560-H619 WeakPolarHBondContact CE2-NE2 3.36Å; F560-H619 AromaticContact CG-CE1 3.55Å; F560-H619 AromaticContact CZ-CE1 2.84Å; F560-H619 WeakPolarHBondContact CZ-CE1 3.17Å; F560-H619 AromaticContact CZ-NE2 2.73Å; F560-H619 WeakPolarHBondContact CZ-NE2 3.35Å
561G79Confident85.1Confident81 Ų8162.1 Ų62.184%0.83532%0.32SS*.G310 helixtrans-69.8-14.9171.800000114.5H559H559-G561 PolarHBondContact O-N 2.77Å
562E85.4Confident85.1Confident99 Ų9965.6 Ų65.646%0.46334%0.337SS..G310 helixtrans-93.5-5.2177.4-55.6176.8-131.300112.6L546 F550 H559 F560L546-E562 HydrophobicContact CD1-CB 3.7Å; F550-E562 HydrophobicContact CE2-CB 4.19Å; H559-E562 IonicContact CE1-OE1 3.4Å; H559-E562 IonicContact CG-OE1 3.67Å; H559-E562 IonicContact ND1-OE1 2.62Å; H559-E562 PolarHBondContact ND1-OE1 2.83Å; H559-E562 WeakPolarHBondContact O-CB 3.02Å; H559-E562 PolarHBondContact O-N 2.9Å; F560-E562 PolarHBondContact O-N 3.25Å
563L89.4Confident84.9Confident14 Ų1469.4 Ų69.47%0.07336%0.363CS..SBendtrans-107.5152.1-178.9-56.2-178.7000111.3L546 F550 F560 R565 R583 Y585L546-L563 HydrophobicContact CD1-CD2 4.06Å; F550-L563 HydrophobicContact CD2-CD1 4.36Å; F550-L563 HydrophobicContact CD2-CD2 4.13Å; F550-L563 HydrophobicContact CD2-CG 4.33Å; F550-L563 HydrophobicContact CE2-CD2 4.2Å; F560-L563 PolarHBondContact O-N 3.18Å; L563-R565 PolarHBondContact O-N 3.16Å; L563-R583 HydrophobicContact CD2-CB 4.12Å; L563-Y585 HydrophobicContact CB-CD1 3.72Å; L563-Y585 HydrophobicContact CB-CE1 4.09Å
564H91.4Very high85.3Confident61 Ų6173.2 Ų73.228%0.28238%0.383SS..EExtended strand (participates in β ladder)trans-76.398.6-175.9-174.285.9000112.1V566 P578 E581 R583 P584 Y585H564-V566 PolarHBondContact O-N 2.88Å; H564-P578 VanDerWaalsContact CE1-CG 3.45Å; H564-P578 WeakPolarHBondContact CE1-CG 3.05Å; H564-E581 HydrophobicContact CB-CG 3.84Å; H564-R583 PolarHBondContact N-O 3.3Å; H564-P584 HydrophobicContact CB-CB 4.38Å; H564-P584 VanDerWaalsContact O-CA 3.26Å; H564-P584 WeakPolarHBondContact O-CA 3.19Å; H564-Y585 PolarHBondContact O-N 3.3Å
565R92.8Very high85.7Confident116 Ų11671.3 Ų71.344%0.43837%0.372SS..EExtended strand (participates in β ladder)trans-71.7115.6179.6-173.4-178.2-178.41744.5112.7L563 Y585 S587 D589L563-R565 PolarHBondContact O-N 3.16Å; R565-Y585 HydrophobicContact CB-CD1 4.37Å; R565-Y585 HydrophobicContact CB-CE1 3.58Å; R565-Y585 HydrophobicContact CB-CE2 4.44Å; R565-Y585 WeakPolarHBondContact CD-OH 3.49Å; R565-Y585 HydrophobicContact CG-CE1 4.06Å; R565-Y585 HydrophobicContact CG-CE2 4Å; R565-Y585 WeakPolarHBondContact CG-OH 3.28Å; R565-S587 PolarHBondContact NH2-OG 3.2Å; R565-D589 IonicContact NH2-OD1 3.48Å; R565-D589 IonicContact NH2-OD2 3.53Å; R565-D589 PolarHBondContact NH2-OD2 3Å
566V93.2Very high86.2Confident21 Ų2175 Ų7513%0.12739%0.394CS..EExtended strand (participates in β ladder)trans-100.4152160.9-171.50000109H564 Y575 L577 Y585 F586 S587H564-V566 PolarHBondContact O-N 2.88Å; V566-Y575 HydrophobicContact CG1-CD1 3.58Å; V566-Y575 HydrophobicContact CG1-CE1 4.2Å; V566-Y575 HydrophobicContact CG1-CG 4.29Å; V566-L577 HydrophobicContact CG2-CD2 4.2Å; V566-Y585 PolarHBondContact N-O 3.18Å; V566-F586 HydrophobicContact CB-CD1 3.59Å; V566-F586 HydrophobicContact CB-CE1 3.83Å; V566-F586 HydrophobicContact CB-CG 4.32Å; V566-F586 HydrophobicContact CG1-CD1 3.65Å; V566-F586 HydrophobicContact CG1-CE1 3.81Å; V566-F586 HydrophobicContact CG2-CD1 4.14Å; V566-F586 HydrophobicContact CG2-CE1 3.88Å; V566-F586 HydrophobicContact CG2-CZ 4.41Å; V566-S587 WeakPolarHBondContact O-CB 3.38Å; V566-S587 PolarHBondContact O-N 2.75Å
567T92.4Very high87.1Confident45 Ų4575.1 Ų75.128%0.27639%0.392SS..EExtended strand (participates in β ladder)trans-120127.7173.7-54.90000109.6
568L92.6Very high87.8Confident3 Ų373 Ų732%0.01639%0.387CS..  trans-81.3129.9-178-65177.8000111.4Y575 F586 S587 F588 L591 I618 F637 F649L568-Y575 HydrophobicContact CD2-CD2 4.34Å; L568-Y575 HydrophobicContact CD2-CE1 4.04Å; L568-Y575 HydrophobicContact CD2-CE2 3.74Å; L568-F586 HydrophobicContact CD1-CB 4.02Å; L568-F586 HydrophobicContact CD2-CB 4.09Å; L568-F586 HydrophobicContact CD2-CD1 3.86Å; L568-F586 HydrophobicContact CD2-CG 4.36Å; L568-F586 HydrophobicContact CG-CB 3.94Å; L568-S587 PolarHBondContact N-O 3.43Å; L568-F588 HydrophobicContact CD1-CB 4.35Å; L568-L591 HydrophobicContact CB-CD2 3.94Å; L568-I618 HydrophobicContact CD1-CD1 4.27Å; L568-F637 HydrophobicContact CD1-CZ 4.13Å; L568-F649 HydrophobicContact CD1-CE1 4.15Å; L568-F649 HydrophobicContact CD1-CZ 4.1Å; L568-F649 HydrophobicContact CD2-CD2 4.35Å; L568-F649 HydrophobicContact CD2-CE1 4.29Å; L568-F649 HydrophobicContact CD2-CE2 4Å; L568-F649 HydrophobicContact CD2-CZ 3.97Å
569L89.5Confident88.3Confident95 Ų9568.4 Ų68.450%0.49737%0.368SS..  trans-118130178.9-59.3179.8000109.6N571 Q572 Y575 M647L569-N571 PolarHBondContact O-N 3.16Å; L569-Q572 HydrophobicContact CB-CB 4.15Å; L569-Q572 PolarHBondContact O-N 3.1Å; L569-Y575 PolarHBondContact N-OH 3.04Å; L569-Y575 PolarHBondContact O-OH 2.99Å; L569-M647 WeakPolarHBondContact O-CE 3.42Å
570R82Confident88.5Confident151 Ų15166.5 Ų66.557%0.5737%0.368SS*.THydrogen-bonded Turntrans-53.9-27-170.8-164.5172.5-173.8169.73115L591 F645R570-L591 HydrophobicContact CB-CD1 3.68Å; R570-L591 HydrophobicContact CG-CD1 4.07Å; R570-F645 HydrophobicContact CG-CE2 4.24Å
571N84.8Confident88.9Confident162 Ų16268.1 Ų68.187%0.86638%0.376SS*.THydrogen-bonded Turntrans-102.66.4-176.8-61.44.9000113.3L569L569-N571 PolarHBondContact O-N 3.16Å
572Q89.2Confident89.5Confident73 Ų7365.5 Ų65.534%0.34134%0.344SS..  trans-112.5112.5-177.5178.9174.5-2.400110.9L569 L574 Y575 M647L569-Q572 HydrophobicContact CB-CB 4.15Å; L569-Q572 PolarHBondContact O-N 3.1Å; Q572-L574 VanDerWaalsContact CG-O 3.3Å; Q572-L574 WeakPolarHBondContact CG-O 3.38Å; Q572-L574 PolarHBondContact NE2-O 3.5Å; Q572-Y575 HydrophobicContact CB-CE1 4.44Å; Q572-Y575 VanDerWaalsContact CD-CE1 3.43Å; Q572-Y575 HydrophobicContact CG-CD1 4.41Å; Q572-Y575 HydrophobicContact CG-CE1 3.88Å; Q572-Y575 HydrophobicContact CG-CE2 4.08Å; Q572-Y575 VanDerWaalsContact O-CE2 3.25Å; Q572-Y575 WeakPolarHBondContact O-CE2 3.45Å; Q572-Y575 PolarHBondContact O-OH 3.16Å; Q572-Y575 VanDerWaalsContact O-OH 3.05Å; Q572-M647 VanDerWaalsContact O-CE 3.23Å; Q572-M647 WeakPolarHBondContact O-CE 3.21Å
573S88.1Confident89.8Confident81 Ų8164 Ų6457%0.56633%0.334SS*.  trans-97.7-2.7-179.355.10000114.4F649 S650S573-F649 CarbonylContact O-C 3.57Å; S573-F649 WeakPolarHBondContact O-CA 3.37Å; S573-S650 PolarHBondContact O-N 3.15Å
574L91.8Very high90Very high80 Ų8063.4 Ų63.442%0.41933%0.331SS..EExtended strand (participates in β ladder)trans-135.5128.8177.4-176.861.1000111.1Q572 S650 A652Q572-L574 VanDerWaalsContact CG-O 3.3Å; Q572-L574 WeakPolarHBondContact CG-O 3.38Å; Q572-L574 PolarHBondContact NE2-O 3.5Å; L574-S650 WeakPolarHBondContact CA-O 3.47Å; L574-A652 HydrophobicContact CD1-CB 4.36Å
575Y93.4Very high90.1Very high9 Ų961.2 Ų61.24%0.03532%0.32CS..EExtended strand (participates in β ladder)trans-123144.6172.6-57.9-94.6000108.4V566 L568 L569 Q572 F649 S650 V651 A652V566-Y575 HydrophobicContact CG1-CD1 3.58Å; V566-Y575 HydrophobicContact CG1-CE1 4.2Å; V566-Y575 HydrophobicContact CG1-CG 4.29Å; L568-Y575 HydrophobicContact CD2-CD2 4.34Å; L568-Y575 HydrophobicContact CD2-CE1 4.04Å; L568-Y575 HydrophobicContact CD2-CE2 3.74Å; L569-Y575 PolarHBondContact N-OH 3.04Å; L569-Y575 PolarHBondContact O-OH 2.99Å; Q572-Y575 HydrophobicContact CB-CE1 4.44Å; Q572-Y575 VanDerWaalsContact CD-CE1 3.43Å; Q572-Y575 HydrophobicContact CG-CD1 4.41Å; Q572-Y575 HydrophobicContact CG-CE1 3.88Å; Q572-Y575 HydrophobicContact CG-CE2 4.08Å; Q572-Y575 VanDerWaalsContact O-CE2 3.25Å; Q572-Y575 WeakPolarHBondContact O-CE2 3.45Å; Q572-Y575 PolarHBondContact O-OH 3.16Å; Q572-Y575 VanDerWaalsContact O-OH 3.05Å; Y575-F649 HydrophobicContact CD2-CB 4.32Å; Y575-F649 AromaticContact CD2-CD2 3.77Å; Y575-F649 HydrophobicContact CD2-CD2 3.77Å; Y575-F649 HydrophobicContact CD2-CG 4.34Å; Y575-F649 HydrophobicContact CE2-CB 3.91Å; Y575-F649 AromaticContact CE2-CD2 3.85Å; Y575-F649 HydrophobicContact CE2-CD2 3.85Å; Y575-F649 HydrophobicContact CE2-CG 4.01Å; Y575-S650 PolarHBondContact N-O 3.02Å; Y575-V651 CarbonylContact O-C 3.59Å; Y575-V651 WeakPolarHBondContact O-CA 3.05Å; Y575-A652 PolarHBondContact O-N 2.87Å
576T91.3Very high90.1Very high105 Ų10555.7 Ų55.764%0.64430%0.299SS*.EExtended strand (participates in β ladder)trans-125.2127.6-179.3-53.80000108.8A652T576-A652 HydrophobicContact CG2-CB 4.24Å
577L92.1Very high90.1Very high14 Ų1455 Ų557%0.07330%0.296CS..PPolyproline II helixtrans-83157.8176.1-58.2-175.4000111.8V566 E581 P584 F586 L622 V651 A652 V653V566-L577 HydrophobicContact CG2-CD2 4.2Å; L577-E581 HydrophobicContact CB-CB 4.44Å; L577-P584 HydrophobicContact CD1-CB 4.29Å; L577-P584 HydrophobicContact CD1-CG 3.67Å; L577-P584 HydrophobicContact CD2-CB 3.72Å; L577-P584 HydrophobicContact CD2-CG 3.97Å; L577-P584 HydrophobicContact CG-CG 4.5Å; L577-F586 HydrophobicContact CD2-CZ 4.42Å; L577-L622 HydrophobicContact CD1-CD1 3.97Å; L577-V651 HydrophobicContact CD1-CG1 4.26Å; L577-V651 HydrophobicContact CD2-CG1 4.14Å; L577-V651 HydrophobicContact CG-CG1 3.89Å; L577-A652 PolarHBondContact N-O 3.26Å; L577-V653 HydrophobicContact CD1-CB 4.13Å; L577-V653 HydrophobicContact CD1-CG1 3.48Å; L577-V653 VanDerWaalsContact CD1-CG1 3.48Å; L577-V653 HydrophobicContact CG-CG1 4.01Å
578P89.7Confident90.2Very high60 Ų6052.9 Ų52.939%0.3928%0.283SS..PPolyproline II helixtrans-59.1146.8164.1-19.432.1000111.6H564 G580 E581H564-P578 VanDerWaalsContact CE1-CG 3.45Å; H564-P578 WeakPolarHBondContact CE1-CG 3.05Å; P578-G580 PolarHBondContact O-N 3.04Å; P578-E581 HydrophobicContact CB-CB 4.27Å; P578-E581 HydrophobicContact CG-CB 4.43Å; P578-E581 VanDerWaalsContact O-CB 3.31Å; P578-E581 WeakPolarHBondContact O-CB 3.44Å; P578-E581 PolarHBondContact O-N 3.18Å; P578-E581 VanDerWaalsContact O-N 3.1Å
579L87.1Confident90Very high89 Ų8955.3 Ų55.347%0.46630%0.295SS..THydrogen-bonded Turntrans-68.2128.5177.8-168.7148.8000110.2D654 R656 V658L579-D654 WeakPolarHBondContact CA-O 3.42Å; L579-D654 HydrophobicContact CD1-CB 4.4Å; L579-D654 WeakPolarHBondContact CD1-OD2 3.13Å; L579-D654 HydrophobicContact CG-CB 4.29Å; L579-R656 WeakPolarHBondContact CD2-O 3.31Å; L579-V658 HydrophobicContact CD2-CG2 3.63Å
580G83.1Confident89.8Confident32 Ų3258.9 Ų58.933%0.3331%0.307SS..THydrogen-bonded Turntrans88.2-5-172.200000114.9P578 D654P578-G580 PolarHBondContact O-N 3.04Å; G580-D654 PolarHBondContact N-O 2.84Å
581E89.4Confident90.1Very high39 Ų3952.9 Ų52.918%0.18229%0.286CS..  trans-73.1137176.3-174.753.2-100.100111.5H564 L577 P578 R583 T655H564-E581 HydrophobicContact CB-CG 3.84Å; L577-E581 HydrophobicContact CB-CB 4.44Å; P578-E581 HydrophobicContact CB-CB 4.27Å; P578-E581 HydrophobicContact CG-CB 4.43Å; P578-E581 VanDerWaalsContact O-CB 3.31Å; P578-E581 WeakPolarHBondContact O-CB 3.44Å; P578-E581 PolarHBondContact O-N 3.18Å; P578-E581 VanDerWaalsContact O-N 3.1Å; E581-R583 PolarHBondContact OE1-N 2.88Å; E581-T655 WeakPolarHBondContact O-CG2 3.32Å
582T90.4Very high90.2Very high26 Ų2645.4 Ų45.416%0.1625%0.247CC..  trans-129.4-11.6-173.144.30000114.1L622 P624 T655T582-L622 HydrophobicContact CG2-CB 4.41Å; T582-L622 PolarHBondContact O-N 2.9Å; T582-P624 HydrophobicContact CG2-CB 4.39Å; T582-T655 HydrophobicContact CG2-CG2 4.13Å
583R91.7Very high90.2Very high68 Ų6848.7 Ų48.726%0.25726%0.256SS..  trans-135.955.9-172.9-59.5154.2-66-177.15.3113.7L546 L563 H564 E581 L621L546-R583 WeakPolarHBondContact O-CD 3.38Å; L546-R583 PolarHBondContact O-NH1 2.88Å; L563-R583 HydrophobicContact CD2-CB 4.12Å; H564-R583 PolarHBondContact N-O 3.3Å; E581-R583 PolarHBondContact OE1-N 2.88Å; R583-L621 HydrophobicContact CG-CD1 3.56Å
584P93.4Very high90.4Very high2 Ų250.8 Ų50.81%0.01325%0.252CS..EExtended strand (participates in β ladder)trans-74.2156.4172.235.1-40.6000113.3H564 L577 F586 L620H564-P584 HydrophobicContact CB-CB 4.38Å; H564-P584 VanDerWaalsContact O-CA 3.26Å; H564-P584 WeakPolarHBondContact O-CA 3.19Å; L577-P584 HydrophobicContact CD1-CB 4.29Å; L577-P584 HydrophobicContact CD1-CG 3.67Å; L577-P584 HydrophobicContact CD2-CB 3.72Å; L577-P584 HydrophobicContact CD2-CG 3.97Å; L577-P584 HydrophobicContact CG-CG 4.5Å; P584-F586 HydrophobicContact CB-CE2 4.29Å; P584-F586 HydrophobicContact CB-CZ 4.4Å; P584-F586 HydrophobicContact CG-CE2 4.17Å; P584-F586 HydrophobicContact CG-CZ 4.42Å; P584-L620 VanDerWaalsContact CD-O 3.27Å; P584-L620 WeakPolarHBondContact CD-O 3.49Å; P584-L620 HydrophobicContact CG-CB 4.12Å; P584-L620 HydrophobicContact CG-CD2 4.17Å; P584-L620 HydrophobicContact CG-CG 4.22Å; P584-L620 PolarHBondContact O-N 3.16Å; P584-L620 VanDerWaalsContact O-N 3.1Å
585Y93.6Very high90.4Very high15 Ų1547.3 Ų47.36%0.05923%0.234CC..EExtended strand (participates in β ladder)trans-132.1141.8162.380-82.9000111.5F560 L563 H564 R565 V566 I618 H619F560-Y585 HydrophobicContact CB-CE1 4.25Å; F560-Y585 HydrophobicContact CD2-CD2 4.16Å; F560-Y585 HydrophobicContact CD2-CE1 4.44Å; F560-Y585 AromaticContact CD2-CE2 3.7Å; F560-Y585 HydrophobicContact CD2-CE2 3.7Å; F560-Y585 AromaticContact CD2-CZ 3.85Å; F560-Y585 HydrophobicContact CE2-CD2 4.42Å; F560-Y585 HydrophobicContact CE2-CE2 4.3Å; F560-Y585 WeakPolarHBondContact O-CE1 3.2Å; L563-Y585 HydrophobicContact CB-CD1 3.72Å; L563-Y585 HydrophobicContact CB-CE1 4.09Å; H564-Y585 PolarHBondContact O-N 3.3Å; R565-Y585 HydrophobicContact CB-CD1 4.37Å; R565-Y585 HydrophobicContact CB-CE1 3.58Å; R565-Y585 HydrophobicContact CB-CE2 4.44Å; R565-Y585 WeakPolarHBondContact CD-OH 3.49Å; R565-Y585 HydrophobicContact CG-CE1 4.06Å; R565-Y585 HydrophobicContact CG-CE2 4Å; R565-Y585 WeakPolarHBondContact CG-OH 3.28Å; V566-Y585 PolarHBondContact N-O 3.18Å; Y585-I618 CarbonylContact C-O 3.46Å; Y585-I618 WeakPolarHBondContact CA-O 3.46Å; Y585-H619 WeakPolarHBondContact CB-ND1 3.43Å; Y585-H619 AromaticContact CG-CE1 3.79Å
586F94.1Very high90.1Very high0 Ų049.6 Ų49.60%025%0.251CS..EExtended strand (participates in β ladder)trans-104.7108.2-175.3-58.7-93.3000109.4V566 L568 L577 P584 S617 I618 L620 V651V566-F586 HydrophobicContact CB-CD1 3.59Å; V566-F586 HydrophobicContact CB-CE1 3.83Å; V566-F586 HydrophobicContact CB-CG 4.32Å; V566-F586 HydrophobicContact CG1-CD1 3.65Å; V566-F586 HydrophobicContact CG1-CE1 3.81Å; V566-F586 HydrophobicContact CG2-CD1 4.14Å; V566-F586 HydrophobicContact CG2-CE1 3.88Å; V566-F586 HydrophobicContact CG2-CZ 4.41Å; L568-F586 HydrophobicContact CD1-CB 4.02Å; L568-F586 HydrophobicContact CD2-CB 4.09Å; L568-F586 HydrophobicContact CD2-CD1 3.86Å; L568-F586 HydrophobicContact CD2-CG 4.36Å; L568-F586 HydrophobicContact CG-CB 3.94Å; L577-F586 HydrophobicContact CD2-CZ 4.42Å; P584-F586 HydrophobicContact CB-CE2 4.29Å; P584-F586 HydrophobicContact CB-CZ 4.4Å; P584-F586 HydrophobicContact CG-CE2 4.17Å; P584-F586 HydrophobicContact CG-CZ 4.42Å; F586-S617 CarbonylContact O-C 3.6Å; F586-S617 WeakPolarHBondContact O-CA 3.48Å; F586-I618 HydrophobicContact CB-CB 4.29Å; F586-I618 PolarHBondContact N-O 3.09Å; F586-I618 PolarHBondContact O-N 3.29Å; F586-L620 HydrophobicContact CE2-CB 4.11Å; F586-L620 HydrophobicContact CE2-CD2 3.98Å; F586-L620 HydrophobicContact CZ-CD2 4.43Å; F586-V651 HydrophobicContact CE1-CG1 4.31Å; F586-V651 HydrophobicContact CE1-CG2 3.84Å; F586-V651 HydrophobicContact CE2-CG2 4.33Å; F586-V651 HydrophobicContact CZ-CB 4.32Å; F586-V651 HydrophobicContact CZ-CG1 3.75Å; F586-V651 HydrophobicContact CZ-CG2 3.55Å
587S92.9Very high90Very high7 Ų751.1 Ų51.15%0.04925%0.251CS..EExtended strand (participates in β ladder)trans-79.7123.7178.2-168.50000110.5R565 V566 L568 D589R565-S587 PolarHBondContact NH2-OG 3.2Å; V566-S587 WeakPolarHBondContact O-CB 3.38Å; V566-S587 PolarHBondContact O-N 2.75Å; L568-S587 PolarHBondContact N-O 3.43Å; S587-D589 PolarHBondContact OG-OD1 2.83Å
588F93.4Very high89.8Confident0 Ų052.6 Ų52.60%027%0.265CS..  trans-107.321.517261.5-99.1000112.3L568 K590 L591 A592 V595 V611 K616 S617 I618 F637L568-F588 HydrophobicContact CD1-CB 4.35Å; F588-K590 PolarHBondContact O-N 2.93Å; F588-K590 VanDerWaalsContact O-N 3.14Å; F588-L591 HydrophobicContact CB-CB 4.17Å; F588-L591 HydrophobicContact CB-CD2 4.42Å; F588-L591 PolarHBondContact O-N 3.04Å; F588-A592 HydrophobicContact CD2-CB 4.18Å; F588-A592 PolarHBondContact O-N 3.14Å; F588-V595 HydrophobicContact CD1-CG2 4.26Å; F588-V595 HydrophobicContact CE1-CG2 3.73Å; F588-V595 HydrophobicContact CE2-CG2 4.18Å; F588-V595 HydrophobicContact CZ-CB 4.41Å; F588-V595 HydrophobicContact CZ-CG2 3.67Å; F588-V611 HydrophobicContact CE1-CG1 4.29Å; F588-K616 WeakPolarHBondContact CD1-O 3.4Å; F588-K616 HydrophobicContact CD2-CB 3.83Å; F588-K616 HydrophobicContact CD2-CG 4.3Å; F588-K616 HydrophobicContact CE2-CB 3.76Å; F588-K616 HydrophobicContact CE2-CG 4Å; F588-K616 HydrophobicContact CG-CB 4.37Å; F588-K616 HydrophobicContact CZ-CB 4.25Å; F588-K616 PolarHBondContact N-O 3.06Å; F588-S617 VanDerWaalsContact CE1-N 3.3Å; F588-I618 HydrophobicContact CD1-CD1 4.43Å; F588-I618 HydrophobicContact CD1-CG1 3.98Å; F588-I618 HydrophobicContact CE1-CG1 3.95Å; F588-F637 HydrophobicContact CB-CE1 3.75Å; F588-F637 HydrophobicContact CB-CZ 4.34Å; F588-F637 HydrophobicContact CD1-CE1 4.1Å; F588-F637 HydrophobicContact CD2-CD1 4.43Å; F588-F637 HydrophobicContact CD2-CE1 4.11Å; F588-F637 AromaticContact CG-CE1 3.76Å; F588-F637 HydrophobicContact CG-CE1 3.76Å
589D88.8Confident89.6Confident53 Ų5355.8 Ų55.828%0.28328%0.275SS..THydrogen-bonded Turntrans-48.6-41.9-176.563.7-18.4000113.7R565 S587 K616R565-D589 IonicContact NH2-OD1 3.48Å; R565-D589 IonicContact NH2-OD2 3.53Å; R565-D589 PolarHBondContact NH2-OD2 3Å; S587-D589 PolarHBondContact OG-OD1 2.83Å; D589-K616 HydrophobicContact CB-CB 4.49Å; D589-K616 PolarHBondContact O-NZ 3.15Å
590K85.9Confident89.7Confident170 Ų17053.4 Ų53.474%0.73926%0.264SS*.THydrogen-bonded Turntrans-96.2-1-179-64.8167.1-172.3177.90114.9F588F588-K590 PolarHBondContact O-N 2.93Å; F588-K590 VanDerWaalsContact O-N 3.14Å
591L87.1Confident89.8Confident25 Ų2558.1 Ų58.113%0.13128%0.275CS..THydrogen-bonded Turntrans-105-35.1-172.5-178.863.2000112.9L568 R570 F588 F637 F645 M647L568-L591 HydrophobicContact CB-CD2 3.94Å; R570-L591 HydrophobicContact CB-CD1 3.68Å; R570-L591 HydrophobicContact CG-CD1 4.07Å; F588-L591 HydrophobicContact CB-CB 4.17Å; F588-L591 HydrophobicContact CB-CD2 4.42Å; F588-L591 PolarHBondContact O-N 3.04Å; L591-F637 HydrophobicContact CD2-CD2 4.18Å; L591-F637 HydrophobicContact CD2-CE1 4.15Å; L591-F637 HydrophobicContact CD2-CE2 3.79Å; L591-F637 HydrophobicContact CD2-CZ 3.77Å; L591-F645 HydrophobicContact CD1-CE2 4.36Å; L591-F645 HydrophobicContact CD1-CZ 3.86Å; L591-F645 HydrophobicContact CG-CZ 4.13Å; L591-M647 HydrophobicContact CD2-SD 3.91Å
592A88.6Confident89.3Confident6 Ų663.8 Ų63.85%0.0531%0.307CS..  trans-153.3166.1-170.900000113.3F588 K616 F637F588-A592 HydrophobicContact CD2-CB 4.18Å; F588-A592 PolarHBondContact O-N 3.14Å; A592-K616 WeakPolarHBondContact O-CE 3.42Å; A592-K616 PolarHBondContact O-NZ 3.08Å; A592-F637 HydrophobicContact CB-CB 3.83Å; A592-F637 HydrophobicContact CB-CD1 3.5Å; A592-F637 HydrophobicContact CB-CE1 4.42Å; A592-F637 HydrophobicContact CB-CG 4.02Å
593R88.4Confident89Confident141 Ų14163.8 Ų63.853%0.53231%0.306SS..SBendtrans-77.4-47.6166.5-176.2175.7177.4172.91.1110.9Q638 E640R593-Q638 PolarHBondContact N-O 3.39Å; R593-E640 HydrophobicContact CB-CG 4.2Å
594R91.6Very high88.5Confident125 Ų12565.4 Ų65.447%0.47233%0.325SS..EExtended strand (participates in β ladder)trans-152.2160.6176.864.8174.9-177.6176.62.4111.2N613 Q638R594-N613 WeakPolarHBondContact CA-OD1 3.46Å; R594-N613 WeakPolarHBondContact CB-OD1 3.45Å; R594-Q638 HydrophobicContact CG-CB 3.98Å; R594-Q638 VanDerWaalsContact CZ-OE1 3.22Å; R594-Q638 PolarHBondContact N-O 2.97Å; R594-Q638 PolarHBondContact O-N 3.06Å
595V91.6Very high88.3Confident7 Ų765.3 Ų65.34%0.04233%0.325CS..EExtended strand (participates in β ladder)trans-80.7139.5158173.10000108.7F588 E597 A598 V611 N613 V635 F637F588-V595 HydrophobicContact CD1-CG2 4.26Å; F588-V595 HydrophobicContact CE1-CG2 3.73Å; F588-V595 HydrophobicContact CE2-CG2 4.18Å; F588-V595 HydrophobicContact CZ-CB 4.41Å; F588-V595 HydrophobicContact CZ-CG2 3.67Å; V595-E597 WeakPolarHBondContact CG1-O 3.14Å; V595-A598 HydrophobicContact CG1-CB 4.13Å; V595-V611 HydrophobicContact CB-CG1 3.71Å; V595-V611 HydrophobicContact CG1-CG1 4.02Å; V595-V611 HydrophobicContact CG2-CG1 3.83Å; V595-N613 PolarHBondContact N-OD1 3.4Å; V595-N613 PolarHBondContact O-ND2 2.96Å; V595-V635 HydrophobicContact CB-CG1 4.38Å; V595-V635 HydrophobicContact CG1-CG1 3.7Å; V595-V635 HydrophobicContact CG2-CG1 3.74Å; V595-F637 HydrophobicContact CG2-CD1 3.65Å; V595-F637 HydrophobicContact CG2-CE1 3.42Å; V595-F637 VanDerWaalsContact CG2-CE1 3.42Å; V595-F637 HydrophobicContact CG2-CZ 4.29Å
596S88.6Confident88.1Confident58 Ų5866 Ų6641%0.40633%0.33SS..EExtended strand (participates in β ladder)trans-101.1-37.2174.657.80000112.5T636S596-T636 PolarHBondContact N-O 3.24Å; S596-T636 WeakPolarHBondContact OG-CG2 3.49Å; S596-T636 PolarHBondContact OG-O 2.91Å
597E88.3Confident87.8Confident136 Ų13667.4 Ų67.464%0.63634%0.336SS*.EExtended strand (participates in β ladder)trans-150.7146.3178.9-176.4178.7-14600109V595 T636V595-E597 WeakPolarHBondContact CG1-O 3.14Å; E597-T636 PolarHBondContact N-O 2.86Å; E597-T636 PolarHBondContact O-N 2.85Å
598A87.8Confident87.7Confident46 Ų4669.9 Ų69.938%0.3835%0.346SS..EExtended strand (participates in β ladder)trans-145.6133.4176.300000110.5V595 V611 V635V595-A598 HydrophobicContact CG1-CB 4.13Å; A598-V611 HydrophobicContact CB-CG2 3.96Å; A598-V635 HydrophobicContact CB-CG1 4.19Å; A598-V635 HydrophobicContact CB-CG2 4.23Å
599H86.3Confident87.6Confident127 Ų12771.4 Ų71.459%0.58836%0.356SS*.EExtended strand (participates in β ladder)trans-126.3128.7175.5-171.3-50.6000109N634H599-N634 HydrophobicContact CB-CB 4.47Å; H599-N634 PolarHBondContact N-O 3.24Å; H599-N634 PolarHBondContact O-N 2.82Å
600V88.9Confident87.7Confident38 Ų3869.4 Ų69.423%0.2335%0.346CS..EExtended strand (participates in β ladder)trans-104.9145.6170.468.60000109T609 V631 Y633V600-T609 HydrophobicContact CB-CG2 4.27Å; V600-T609 HydrophobicContact CG1-CG2 3.86Å; V600-T609 HydrophobicContact CG2-CG2 4.5Å; V600-V631 HydrophobicContact CG2-CG1 3.57Å; V600-Y633 HydrophobicContact CB-CD1 4.11Å; V600-Y633 HydrophobicContact CB-CE1 3.94Å; V600-Y633 HydrophobicContact CG2-CD1 4.09Å; V600-Y633 HydrophobicContact CG2-CD2 4.47Å; V600-Y633 HydrophobicContact CG2-CE1 3.77Å; V600-Y633 HydrophobicContact CG2-CE2 4.17Å; V600-Y633 HydrophobicContact CG2-CG 4.43Å
601K84.7Confident87.9Confident132 Ų13263.8 Ų63.857%0.57433%0.325SS*.  trans-86.3133.1173.2-174.3-180179.5-178.40109.9N603 Q632K601-N603 PolarHBondContact O-N 2.92Å; K601-Q632 HydrophobicContact CB-CB 4.11Å; K601-Q632 PolarHBondContact N-O 2.82Å
602D78.4Confident88Confident157 Ų15763 Ų6384%0.8432%0.322SS*.  trans-51.1127.4178.5-58.5-49.6000112.2
603N85.4Confident88Confident26 Ų2665.8 Ų65.814%0.13934%0.337CS..  trans-151.9125.9178.1178.7-23.9000108.8K601 V605 V606 Q630 V631K601-N603 PolarHBondContact O-N 2.92Å; N603-V605 HydrophobicContact CB-CG1 4.46Å; N603-V605 PolarHBondContact O-N 2.99Å; N603-V605 VanDerWaalsContact OD1-CG1 3.24Å; N603-V605 WeakPolarHBondContact OD1-CG1 3.31Å; N603-V605 PolarHBondContact OD1-N 2.94Å; N603-V605 VanDerWaalsContact OD1-N 3.12Å; N603-V606 HydrophobicContact CB-CG2 4.41Å; N603-V606 PolarHBondContact O-N 3.15Å; N603-Q630 VanDerWaalsContact ND2-C 3.33Å; N603-Q630 PolarHBondContact ND2-O 3.29Å; N603-V631 HydrophobicContact CB-CG2 4.43Å
604P81.7Confident87.8Confident102 Ų10267.1 Ų67.166%0.66235%0.346SS*.THydrogen-bonded Turntrans-63.1-10.1-17426.5-37.1000115.5V606P604-V606 VanDerWaalsContact C-N 3.3Å
605V87.8Confident87.5Confident1 Ų165.6 Ų65.61%0.00634%0.341CS..THydrogen-bonded Turntrans-72.8-23171.474.20000113.1N603 L622 Y623 Q626 V631 V653 T655N603-V605 HydrophobicContact CB-CG1 4.46Å; N603-V605 PolarHBondContact O-N 2.99Å; N603-V605 VanDerWaalsContact OD1-CG1 3.24Å; N603-V605 WeakPolarHBondContact OD1-CG1 3.31Å; N603-V605 PolarHBondContact OD1-N 2.94Å; N603-V605 VanDerWaalsContact OD1-N 3.12Å; V605-L622 HydrophobicContact CG1-CD2 4.27Å; V605-L622 HydrophobicContact CG2-CB 4.42Å; V605-L622 HydrophobicContact CG2-CD2 4.35Å; V605-L622 CarbonylContact O-C 3.34Å; V605-L622 VanDerWaalsContact O-CA 3.25Å; V605-L622 WeakPolarHBondContact O-CA 3.45Å; V605-L622 WeakPolarHBondContact O-CB 3.33Å; V605-Y623 PolarHBondContact O-N 3.13Å; V605-Q626 HydrophobicContact CB-CB 4.38Å; V605-Q626 HydrophobicContact CG2-CB 3.79Å; V605-Q626 HydrophobicContact CG2-CG 4.21Å; V605-V631 HydrophobicContact CG1-CG2 3.62Å; V605-V653 HydrophobicContact CB-CG2 4.23Å; V605-V653 HydrophobicContact CG1-CG2 3.63Å; V605-V653 HydrophobicContact CG2-CG2 3.75Å; V605-T655 HydrophobicContact CG2-CG2 3.98Å
606V89.1Confident87.5Confident30 Ų3067.8 Ų67.818%0.18235%0.35CS..EExtended strand (participates in β ladder)trans-83.5126.5-176.6-175.90000110.2N603 P604 L620 L622 V631N603-V606 HydrophobicContact CB-CG2 4.41Å; N603-V606 PolarHBondContact O-N 3.15Å; P604-V606 VanDerWaalsContact C-N 3.3Å; V606-L620 HydrophobicContact CB-CD1 4.49Å; V606-L620 HydrophobicContact CG1-CD1 3.82Å; V606-L620 HydrophobicContact CG2-CD1 4.11Å; V606-L622 HydrophobicContact CG2-CD2 4.3Å; V606-V631 HydrophobicContact CG2-CB 4.46Å; V606-V631 HydrophobicContact CG2-CG1 3.86Å; V606-V631 HydrophobicContact CG2-CG2 3.68Å
607R88.4Confident87.6Confident29 Ų2965.1 Ų65.111%0.10933%0.331CS..EExtended strand (participates in β ladder)trans-88-48.5167.5177.1-170.2-72.4-93.6-0.1111S523 N531 L534 L621 Y623S523-R607 PolarHBondContact O-NH1 2.89Å; S523-R607 PolarHBondContact O-NH2 3.22Å; S523-R607 PolarHBondContact OG-NH2 2.86Å; N531-R607 PolarHBondContact OD1-NH1 3.5Å; L534-R607 HydrophobicContact CD1-CG 4.41Å; R607-L621 WeakPolarHBondContact CA-O 3.36Å; R607-L621 HydrophobicContact CB-CG 4.35Å; R607-L621 WeakPolarHBondContact CB-O 3.24Å; R607-L621 HydrophobicContact CG-CD2 4.38Å; R607-L621 PolarHBondContact N-O 3.38Å; R607-Y623 HydrophobicContact CB-CD2 4.01Å; R607-Y623 HydrophobicContact CB-CE1 4.36Å; R607-Y623 HydrophobicContact CB-CE2 3.71Å; R607-Y623 HydrophobicContact CB-CG 4.46Å; R607-Y623 HydrophobicContact CG-CE1 4.31Å; R607-Y623 HydrophobicContact CG-CE2 4.23Å; R607-Y623 VanDerWaalsContact NH2-CE1 3.34Å
608H90.1Very high87.9Confident58 Ų5858.7 Ų58.727%0.26930%0.301SS..EExtended strand (participates in β ladder)trans-159.4157.4178.4-151.996.2000110.7L534 V552 L621L534-H608 HydrophobicContact CB-CB 4.4Å; L534-H608 HydrophobicContact CD1-CB 4.26Å; L534-H608 PolarHBondContact O-CE1 3.2Å; L534-H608 VanDerWaalsContact O-CE1 3.26Å; L534-H608 PolarHBondContact O-NE2 3.21Å; V552-H608 HydrophobicContact CG2-CB 4.31Å; H608-L621 PolarHBondContact N-O 2.8Å; H608-L621 PolarHBondContact O-N 2.84Å
609T91.4Very high88.1Confident33 Ų3356.7 Ų56.720%0.20228%0.284CS..EExtended strand (participates in β ladder)trans-148143.3170.2-178.10000111.5V600 H619 Y633V600-T609 HydrophobicContact CB-CG2 4.27Å; V600-T609 HydrophobicContact CG1-CG2 3.86Å; V600-T609 HydrophobicContact CG2-CG2 4.5Å; T609-H619 CarbonylContact C-O 3.56Å; T609-H619 WeakPolarHBondContact CA-O 3.44Å; T609-H619 WeakPolarHBondContact CB-O 3.09Å; T609-H619 PolarHBondContact OG1-O 3.18Å; T609-Y633 HydrophobicContact CG2-CE1 4.36Å; T609-Y633 PolarHBondContact OG1-OH 2.87Å; T609-Y633 VanDerWaalsContact OG1-OH 3.07Å
610S91.7Very high88.4Confident11 Ų1150.8 Ų50.88%0.07726%0.256CS..EExtended strand (participates in β ladder)trans-133.8166.9-17384.40000112.4A535 V552 I618 H619A535-S610 VanDerWaalsContact CB-CB 3.47Å; V552-S610 PolarHBondContact O-OG 3.24Å; S610-I618 CarbonylContact O-C 3.56Å; S610-I618 VanDerWaalsContact O-CA 3.27Å; S610-I618 WeakPolarHBondContact O-CA 3.44Å; S610-I618 VanDerWaalsContact O-CG2 3.3Å; S610-I618 WeakPolarHBondContact O-CG2 3.39Å; S610-H619 PolarHBondContact N-O 3.03Å; S610-H619 PolarHBondContact O-N 3.32Å
611V91.1Very high88.6Confident51 Ų5149.2 Ų49.231%0.30925%0.247SC..EExtended strand (participates in β ladder)trans-129.789.5175.5-173.80000111.2F588 V595 A598 N613 S617 I618F588-V611 HydrophobicContact CE1-CG1 4.29Å; V595-V611 HydrophobicContact CB-CG1 3.71Å; V595-V611 HydrophobicContact CG1-CG1 4.02Å; V595-V611 HydrophobicContact CG2-CG1 3.83Å; A598-V611 HydrophobicContact CB-CG2 3.96Å; V611-N613 VanDerWaalsContact C-N 3.33Å; V611-N613 PolarHBondContact O-N 3.17Å; V611-S617 CarbonylContact C-O 3.53Å; V611-I618 HydrophobicContact CG1-CG1 4.22Å; V611-I618 HydrophobicContact CG2-CG1 4.22Å; V611-I618 HydrophobicContact CG2-CG2 4.35Å
612A88.6Confident88.9Confident8 Ų843.1 Ų43.17%0.06622%0.22CC..EExtended strand (participates in β ladder)trans-77.779.4177.200000111.6K614 W615 K616 S617A612-K614 PolarHBondContact O-N 3.42Å; A612-W615 CarbonylContact O-C 3.59Å; A612-W615 PolarHBondContact O-N 2.91Å; A612-K616 PolarHBondContact O-N 2.83Å; A612-S617 CarbonylContact C-O 3.55Å; A612-S617 PolarHBondContact N-O 3.01Å; A612-S617 PolarHBondContact O-N 3.34Å
613N88Confident89.4Confident65 Ų6538.5 Ų38.535%0.34819%0.192SC..G310 helixtrans-54.5-34.3178.6-101.2-32000113.6R594 V595 V611 W615 K616R594-N613 WeakPolarHBondContact CA-OD1 3.46Å; R594-N613 WeakPolarHBondContact CB-OD1 3.45Å; V595-N613 PolarHBondContact N-OD1 3.4Å; V595-N613 PolarHBondContact O-ND2 2.96Å; V611-N613 VanDerWaalsContact C-N 3.33Å; V611-N613 PolarHBondContact O-N 3.17Å; N613-W615 PolarHBondContact O-N 2.88Å; N613-K616 PolarHBondContact O-N 3.39Å
614K84Confident89.4Confident170 Ų17041 Ų4174%0.73921%0.209SC*.G310 helixtrans-57.6-33.4175.4-176.9-179.5176.6-174.90113.1A612A612-K614 PolarHBondContact O-N 3.42Å
615W86.4Confident89.4Confident93 Ų9338.5 Ų38.535%0.35220%0.202SC..G310 helixtrans-109.88.3-176.1-49127.3000113H557 F560 A612 N613 S617H557-W615 HydrophobicContact CB-CD2 4.24Å; H557-W615 HydrophobicContact CB-CE3 4.1Å; H557-W615 HydrophobicContact CB-CH2 4.43Å; H557-W615 HydrophobicContact CB-CZ3 4.2Å; F560-W615 HydrophobicContact CE2-CB 3.98Å; F560-W615 HydrophobicContact CE2-CG 4.41Å; F560-W615 HydrophobicContact CZ-CB 4.14Å; F560-W615 AromaticContact CZ-CD1 3.83Å; F560-W615 HydrophobicContact CZ-CG 4.13Å; A612-W615 CarbonylContact O-C 3.59Å; A612-W615 PolarHBondContact O-N 2.91Å; N613-W615 PolarHBondContact O-N 2.88Å; W615-S617 VanDerWaalsContact C-N 3.31Å; W615-S617 PolarHBondContact O-N 3.14Å
616K90.8Very high89.1Confident53 Ų5342.1 Ų42.123%0.2322%0.218CC..THydrogen-bonded Turntrans45.849.5-172.5-62.9-169.7177.8-165.30113.3F588 D589 A592 A612 N613F588-K616 WeakPolarHBondContact CD1-O 3.4Å; F588-K616 HydrophobicContact CD2-CB 3.83Å; F588-K616 HydrophobicContact CD2-CG 4.3Å; F588-K616 HydrophobicContact CE2-CB 3.76Å; F588-K616 HydrophobicContact CE2-CG 4Å; F588-K616 HydrophobicContact CG-CB 4.37Å; F588-K616 HydrophobicContact CZ-CB 4.25Å; F588-K616 PolarHBondContact N-O 3.06Å; D589-K616 HydrophobicContact CB-CB 4.49Å; D589-K616 PolarHBondContact O-NZ 3.15Å; A592-K616 WeakPolarHBondContact O-CE 3.42Å; A592-K616 PolarHBondContact O-NZ 3.08Å; A612-K616 PolarHBondContact O-N 2.83Å; N613-K616 PolarHBondContact O-N 3.39Å
617S91.6Very high88.8Confident1 Ų145.7 Ų45.71%0.00724%0.237CC..EExtended strand (participates in β ladder)trans-136.1150.5-177.154.40000113.4F586 F588 V611 A612 W615 H619F586-S617 CarbonylContact O-C 3.6Å; F586-S617 WeakPolarHBondContact O-CA 3.48Å; F588-S617 VanDerWaalsContact CE1-N 3.3Å; V611-S617 CarbonylContact C-O 3.53Å; A612-S617 CarbonylContact C-O 3.55Å; A612-S617 PolarHBondContact N-O 3.01Å; A612-S617 PolarHBondContact O-N 3.34Å; W615-S617 VanDerWaalsContact C-N 3.31Å; W615-S617 PolarHBondContact O-N 3.14Å; S617-H619 WeakPolarHBondContact CB-NE2 3.43Å; S617-H619 PolarHBondContact OG-NE2 2.74Å
618I92.9Very high88.5Confident1 Ų147.6 Ų47.61%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-114.6124.6168.1-56.5175000106.6L568 Y585 F586 F588 S610 V611 Y633 V635L568-I618 HydrophobicContact CD1-CD1 4.27Å; Y585-I618 CarbonylContact C-O 3.46Å; Y585-I618 WeakPolarHBondContact CA-O 3.46Å; F586-I618 HydrophobicContact CB-CB 4.29Å; F586-I618 PolarHBondContact N-O 3.09Å; F586-I618 PolarHBondContact O-N 3.29Å; F588-I618 HydrophobicContact CD1-CD1 4.43Å; F588-I618 HydrophobicContact CD1-CG1 3.98Å; F588-I618 HydrophobicContact CE1-CG1 3.95Å; S610-I618 CarbonylContact O-C 3.56Å; S610-I618 VanDerWaalsContact O-CA 3.27Å; S610-I618 WeakPolarHBondContact O-CA 3.44Å; S610-I618 VanDerWaalsContact O-CG2 3.3Å; S610-I618 WeakPolarHBondContact O-CG2 3.39Å; V611-I618 HydrophobicContact CG1-CG1 4.22Å; V611-I618 HydrophobicContact CG2-CG1 4.22Å; V611-I618 HydrophobicContact CG2-CG2 4.35Å; I618-Y633 HydrophobicContact CG2-CE1 4.34Å; I618-V635 HydrophobicContact CD1-CG1 4.39Å; I618-V635 HydrophobicContact CD1-CG2 4.29Å
619H92.9Very high88.3Confident4 Ų447.3 Ų47.32%0.01926%0.261CS..EExtended strand (participates in β ladder)trans-103.2147-179.4-66.7-97.3000110.6V552 F560 Y585 T609 S610 S617V552-H619 HydrophobicContact CG1-CB 3.7Å; V552-H619 VanDerWaalsContact O-CB 3.28Å; V552-H619 WeakPolarHBondContact O-CB 3.31Å; F560-H619 AromaticContact CD1-CE1 3.34Å; F560-H619 WeakPolarHBondContact CD1-CE1 3.32Å; F560-H619 AromaticContact CD2-CE1 3.38Å; F560-H619 WeakPolarHBondContact CD2-CE1 3.36Å; F560-H619 AromaticContact CE1-CE1 2.97Å; F560-H619 WeakPolarHBondContact CE1-CE1 3.35Å; F560-H619 AromaticContact CE1-NE2 3.74Å; F560-H619 AromaticContact CE2-CE1 3.05Å; F560-H619 WeakPolarHBondContact CE2-CE1 3.39Å; F560-H619 AromaticContact CE2-NE2 3Å; F560-H619 WeakPolarHBondContact CE2-NE2 3.36Å; F560-H619 AromaticContact CG-CE1 3.55Å; F560-H619 AromaticContact CZ-CE1 2.84Å; F560-H619 WeakPolarHBondContact CZ-CE1 3.17Å; F560-H619 AromaticContact CZ-NE2 2.73Å; F560-H619 WeakPolarHBondContact CZ-NE2 3.35Å; Y585-H619 WeakPolarHBondContact CB-ND1 3.43Å; Y585-H619 AromaticContact CG-CE1 3.79Å; T609-H619 CarbonylContact C-O 3.56Å; T609-H619 WeakPolarHBondContact CA-O 3.44Å; T609-H619 WeakPolarHBondContact CB-O 3.09Å; T609-H619 PolarHBondContact OG1-O 3.18Å; S610-H619 PolarHBondContact N-O 3.03Å; S610-H619 PolarHBondContact O-N 3.32Å; S617-H619 WeakPolarHBondContact CB-NE2 3.43Å; S617-H619 PolarHBondContact OG-NE2 2.74Å
620L92.6Very high88.2Confident3 Ų351 Ų512%0.01628%0.276CS..EExtended strand (participates in β ladder)trans-138.2122.9-179.5168.659.2000109.1P584 F586 V606 L622 Y633P584-L620 VanDerWaalsContact CD-O 3.27Å; P584-L620 WeakPolarHBondContact CD-O 3.49Å; P584-L620 HydrophobicContact CG-CB 4.12Å; P584-L620 HydrophobicContact CG-CD2 4.17Å; P584-L620 HydrophobicContact CG-CG 4.22Å; P584-L620 PolarHBondContact O-N 3.16Å; P584-L620 VanDerWaalsContact O-N 3.1Å; F586-L620 HydrophobicContact CE2-CB 4.11Å; F586-L620 HydrophobicContact CE2-CD2 3.98Å; F586-L620 HydrophobicContact CZ-CD2 4.43Å; V606-L620 HydrophobicContact CB-CD1 4.49Å; V606-L620 HydrophobicContact CG1-CD1 3.82Å; V606-L620 HydrophobicContact CG2-CD1 4.11Å; L620-L622 HydrophobicContact CD1-CD2 3.54Å; L620-L622 HydrophobicContact CD1-CG 4.48Å; L620-L622 HydrophobicContact CD2-CD2 4.05Å; L620-L622 HydrophobicContact CG-CD2 3.71Å; L620-L622 HydrophobicContact CG-CG 4.24Å; L620-Y633 WeakPolarHBondContact CD1-OH 3.4Å; L620-Y633 HydrophobicContact CD2-CE2 4.42Å
621L92.5Very high88.2Confident5 Ų550.4 Ų50.43%0.02627%0.272CS..EExtended strand (participates in β ladder)trans-113.5127.8177.9-174.863000109.1L534 V552 R583 R607 H608L534-L621 HydrophobicContact CD1-CD2 3.97Å; L534-L621 HydrophobicContact CD2-CD2 4.5Å; V552-L621 HydrophobicContact CG2-CB 4.28Å; V552-L621 HydrophobicContact CG2-CD2 3.91Å; R583-L621 HydrophobicContact CG-CD1 3.56Å; R607-L621 WeakPolarHBondContact CA-O 3.36Å; R607-L621 HydrophobicContact CB-CG 4.35Å; R607-L621 WeakPolarHBondContact CB-O 3.24Å; R607-L621 HydrophobicContact CG-CD2 4.38Å; R607-L621 PolarHBondContact N-O 3.38Å; H608-L621 PolarHBondContact N-O 2.8Å; H608-L621 PolarHBondContact O-N 2.84Å
622L91Very high88.3Confident4 Ų451.9 Ų51.92%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-113.1158.6-173.2-55-179.5000112.5L577 T582 V605 V606 L620 V653 T655L577-L622 HydrophobicContact CD1-CD1 3.97Å; T582-L622 HydrophobicContact CG2-CB 4.41Å; T582-L622 PolarHBondContact O-N 2.9Å; V605-L622 HydrophobicContact CG1-CD2 4.27Å; V605-L622 HydrophobicContact CG2-CB 4.42Å; V605-L622 HydrophobicContact CG2-CD2 4.35Å; V605-L622 CarbonylContact O-C 3.34Å; V605-L622 VanDerWaalsContact O-CA 3.25Å; V605-L622 WeakPolarHBondContact O-CA 3.45Å; V605-L622 WeakPolarHBondContact O-CB 3.33Å; V606-L622 HydrophobicContact CG2-CD2 4.3Å; L620-L622 HydrophobicContact CD1-CD2 3.54Å; L620-L622 HydrophobicContact CD1-CG 4.48Å; L620-L622 HydrophobicContact CD2-CD2 4.05Å; L620-L622 HydrophobicContact CG-CD2 3.71Å; L620-L622 HydrophobicContact CG-CG 4.24Å; L622-V653 HydrophobicContact CD1-CB 3.98Å; L622-V653 HydrophobicContact CD1-CG1 4Å; L622-V653 HydrophobicContact CD1-CG2 4.36Å; L622-T655 HydrophobicContact CB-CG2 4.07Å; L622-T655 HydrophobicContact CD1-CG2 3.76Å
623Y88.8Confident88.5Confident61 Ų6151.8 Ų51.824%0.23927%0.273CS..  trans-79.9137165-71.4-76.8000110.8V605 R607 T655V605-Y623 PolarHBondContact O-N 3.13Å; R607-Y623 HydrophobicContact CB-CD2 4.01Å; R607-Y623 HydrophobicContact CB-CE1 4.36Å; R607-Y623 HydrophobicContact CB-CE2 3.71Å; R607-Y623 HydrophobicContact CB-CG 4.46Å; R607-Y623 HydrophobicContact CG-CE1 4.31Å; R607-Y623 HydrophobicContact CG-CE2 4.23Å; R607-Y623 VanDerWaalsContact NH2-CE1 3.34Å; Y623-T655 WeakPolarHBondContact O-CB 3.43Å; Y623-T655 PolarHBondContact O-OG1 3.44Å
624P85.6Confident88.8Confident78 Ų7851.8 Ų51.851%0.50627%0.274SS..THydrogen-bonded Turntrans-72.3161.7173.732-35.8000111.8T582 Q626T582-P624 HydrophobicContact CG2-CB 4.39Å; P624-Q626 VanDerWaalsContact C-N 3.29Å; P624-Q626 PolarHBondContact O-N 3.11Å
625G81.3Confident89.2Confident49 Ų4943.7 Ų43.751%0.50524%0.238SC..THydrogen-bonded Turntrans76.95173.500000115.7T655G625-T655 PolarHBondContact N-O 3.14Å; G625-T655 PolarHBondContact N-OG1 2.87Å
626Q81.4Confident89.5Confident77 Ų7740.2 Ų40.236%0.3623%0.227SC..  trans-87.3143.3-176.3-65.1-68.8-7.200112.2V605 P624 T655 R656V605-Q626 HydrophobicContact CB-CB 4.38Å; V605-Q626 HydrophobicContact CG2-CB 3.79Å; V605-Q626 HydrophobicContact CG2-CG 4.21Å; P624-Q626 VanDerWaalsContact C-N 3.29Å; P624-Q626 PolarHBondContact O-N 3.11Å; Q626-T655 WeakPolarHBondContact CB-OG1 3.29Å; Q626-T655 PolarHBondContact N-OG1 3.25Å; Q626-T655 PolarHBondContact O-N 3.09Å; Q626-T655 VanDerWaalsContact O-N 3.11Å; Q626-R656 WeakPolarHBondContact O-CG 3.08Å
627N83.2Confident89.6Confident105 Ų10537.7 Ų37.756%0.56122%0.216SC*.  trans-63.8160.8178.7-76.2-45.6000113T629N627-T629 WeakPolarHBondContact O-CG2 3.48Å; N627-T629 PolarHBondContact O-N 3.34Å; N627-T629 VanDerWaalsContact O-N 3.1Å; N627-T629 PolarHBondContact O-OG1 3.41Å
628A81.7Confident89.6Confident69 Ų6938.6 Ų38.657%0.5722%0.221SC*.SBendtrans-51.6114.7174.600000111.9V653 D654A628-V653 CarbonylContact C-O 3.55Å; A628-V653 VanDerWaalsContact CA-O 3.29Å; A628-V653 WeakPolarHBondContact CA-O 3.4Å; A628-D654 HydrophobicContact CB-CB 4.2Å
629T87.4Confident89.3Confident52 Ų5239.9 Ų39.932%0.31923%0.228SC..EExtended strand (participates in β ladder)trans-140.7171.4-174.745.70000110.8N627 V653N627-T629 WeakPolarHBondContact O-CG2 3.48Å; N627-T629 PolarHBondContact O-N 3.34Å; N627-T629 VanDerWaalsContact O-N 3.1Å; N627-T629 PolarHBondContact O-OG1 3.41Å; T629-V653 PolarHBondContact N-O 3.2Å; T629-V653 PolarHBondContact O-N 2.74Å; T629-V653 WeakPolarHBondContact OG1-CG2 3.41Å
630Q89.6Confident88.7Confident110 Ų11046.8 Ų46.851%0.51426%0.261SS..EExtended strand (participates in β ladder)trans-128.5119.8-177.9-168.3174.552.200111.1N603 V651N603-Q630 VanDerWaalsContact ND2-C 3.33Å; N603-Q630 PolarHBondContact ND2-O 3.29Å; Q630-V651 CarbonylContact C-O 3.57Å; Q630-V651 WeakPolarHBondContact CA-O 3.42Å
631V91.3Very high88Confident0 Ų049.7 Ų49.70%029%0.291CS..EExtended strand (participates in β ladder)trans-93.8125.3175.7-174.30000108.3V600 N603 V605 V606 Y633 S650 V651 V653V600-V631 HydrophobicContact CG2-CG1 3.57Å; N603-V631 HydrophobicContact CB-CG2 4.43Å; V605-V631 HydrophobicContact CG1-CG2 3.62Å; V606-V631 HydrophobicContact CG2-CB 4.46Å; V606-V631 HydrophobicContact CG2-CG1 3.86Å; V606-V631 HydrophobicContact CG2-CG2 3.68Å; V631-Y633 HydrophobicContact CB-CE2 4.31Å; V631-Y633 HydrophobicContact CG1-CD2 4.2Å; V631-Y633 HydrophobicContact CG1-CE2 3.6Å; V631-S650 CarbonylContact O-C 3.52Å; V631-S650 WeakPolarHBondContact O-CA 3.07Å; V631-V651 HydrophobicContact CB-CB 4.49Å; V631-V651 PolarHBondContact N-O 3.16Å; V631-V651 PolarHBondContact O-N 2.85Å; V631-V653 HydrophobicContact CG2-CG2 4.35Å
632Q92.2Very high87.3Confident81 Ų8153.9 Ų53.938%0.37931%0.314SS..EExtended strand (participates in β ladder)trans-105.3128.5-177.3-171.21787.800110.7K601 I648K601-Q632 HydrophobicContact CB-CB 4.11Å; K601-Q632 PolarHBondContact N-O 2.82Å; Q632-I648 HydrophobicContact CG-CG2 4.48Å
633Y92.9Very high87.1Confident6 Ų658.1 Ų58.12%0.02434%0.34CS..EExtended strand (participates in β ladder)trans-113.6143.8177.8-74.9-92.4000111.2V600 T609 I618 L620 V631 I648 F649 V651V600-Y633 HydrophobicContact CB-CD1 4.11Å; V600-Y633 HydrophobicContact CB-CE1 3.94Å; V600-Y633 HydrophobicContact CG2-CD1 4.09Å; V600-Y633 HydrophobicContact CG2-CD2 4.47Å; V600-Y633 HydrophobicContact CG2-CE1 3.77Å; V600-Y633 HydrophobicContact CG2-CE2 4.17Å; V600-Y633 HydrophobicContact CG2-CG 4.43Å; T609-Y633 HydrophobicContact CG2-CE1 4.36Å; T609-Y633 PolarHBondContact OG1-OH 2.87Å; T609-Y633 VanDerWaalsContact OG1-OH 3.07Å; I618-Y633 HydrophobicContact CG2-CE1 4.34Å; L620-Y633 WeakPolarHBondContact CD1-OH 3.4Å; L620-Y633 HydrophobicContact CD2-CE2 4.42Å; V631-Y633 HydrophobicContact CB-CE2 4.31Å; V631-Y633 HydrophobicContact CG1-CD2 4.2Å; V631-Y633 HydrophobicContact CG1-CE2 3.6Å; Y633-I648 WeakPolarHBondContact O-CA 3.46Å; Y633-F649 HydrophobicContact CD1-CZ 4.46Å; Y633-F649 HydrophobicContact CD2-CD2 4.45Å; Y633-F649 AromaticContact CD2-CE2 3.8Å; Y633-F649 HydrophobicContact CD2-CE2 3.8Å; Y633-F649 HydrophobicContact CD2-CZ 4.12Å; Y633-F649 HydrophobicContact CG-CE1 4.44Å; Y633-F649 AromaticContact CG-CE2 3.99Å; Y633-F649 HydrophobicContact CG-CE2 3.99Å; Y633-F649 AromaticContact CG-CZ 3.84Å; Y633-F649 HydrophobicContact CG-CZ 3.84Å; Y633-F649 PolarHBondContact N-O 2.98Å; Y633-F649 PolarHBondContact O-N 3.34Å; Y633-V651 HydrophobicContact CD2-CG2 4.07Å; Y633-V651 HydrophobicContact CE2-CG2 3.98Å
634N93.8Very high87.1Confident66 Ų6660.2 Ų60.235%0.35336%0.355SS..EExtended strand (participates in β ladder)trans-130.3112171.5-18030.3000107.9H599 T646 I648H599-N634 HydrophobicContact CB-CB 4.47Å; H599-N634 PolarHBondContact N-O 3.24Å; H599-N634 PolarHBondContact O-N 2.82Å; N634-T646 WeakPolarHBondContact OD1-CG2 3.14Å; N634-I648 HydrophobicContact CB-CG1 4.23Å; N634-I648 WeakPolarHBondContact OD1-CG1 3.4Å
635V93.3Very high87.4Confident0 Ų058 Ų580%034%0.337CS..EExtended strand (participates in β ladder)trans-131.7127.5-167.6-172.50000111.2V595 A598 I618 F637 T646 M647 F649V595-V635 HydrophobicContact CB-CG1 4.38Å; V595-V635 HydrophobicContact CG1-CG1 3.7Å; V595-V635 HydrophobicContact CG2-CG1 3.74Å; A598-V635 HydrophobicContact CB-CG1 4.19Å; A598-V635 HydrophobicContact CB-CG2 4.23Å; I618-V635 HydrophobicContact CD1-CG1 4.39Å; I618-V635 HydrophobicContact CD1-CG2 4.29Å; V635-F637 HydrophobicContact CB-CD2 4.36Å; V635-F637 HydrophobicContact CB-CE2 3.77Å; V635-F637 HydrophobicContact CB-CZ 4.09Å; V635-F637 HydrophobicContact CG1-CD1 4.41Å; V635-F637 HydrophobicContact CG1-CD2 4.11Å; V635-F637 HydrophobicContact CG1-CE1 3.99Å; V635-F637 HydrophobicContact CG1-CE2 3.66Å; V635-F637 HydrophobicContact CG1-CG 4.47Å; V635-F637 HydrophobicContact CG1-CZ 3.59Å; V635-T646 CarbonylContact O-C 3.56Å; V635-T646 WeakPolarHBondContact O-CA 3.34Å; V635-M647 PolarHBondContact N-O 3.32Å; V635-M647 PolarHBondContact O-N 3.3Å; V635-F649 HydrophobicContact CG2-CE1 3.95Å
636T92.9Very high87.8Confident19 Ų1959.5 Ų59.512%0.11734%0.337CS..EExtended strand (participates in β ladder)trans-99.1108178.4-55.30000110.2S596 E597 L644 T646S596-T636 PolarHBondContact N-O 3.24Å; S596-T636 WeakPolarHBondContact OG-CG2 3.49Å; S596-T636 PolarHBondContact OG-O 2.91Å; E597-T636 PolarHBondContact N-O 2.86Å; E597-T636 PolarHBondContact O-N 2.85Å; T636-L644 HydrophobicContact CG2-CB 4.4Å; T636-T646 PolarHBondContact OG1-OG1 3.21Å
637F92.6Very high88.3Confident0 Ų056.5 Ų56.50%032%0.323CS..EExtended strand (participates in β ladder)trans-95.5143.1-176.6-70.9-77.1000112.1L568 F588 L591 A592 V595 V635 L644 F645 M647L568-F637 HydrophobicContact CD1-CZ 4.13Å; F588-F637 HydrophobicContact CB-CE1 3.75Å; F588-F637 HydrophobicContact CB-CZ 4.34Å; F588-F637 HydrophobicContact CD1-CE1 4.1Å; F588-F637 HydrophobicContact CD2-CD1 4.43Å; F588-F637 HydrophobicContact CD2-CE1 4.11Å; F588-F637 AromaticContact CG-CE1 3.76Å; F588-F637 HydrophobicContact CG-CE1 3.76Å; L591-F637 HydrophobicContact CD2-CD2 4.18Å; L591-F637 HydrophobicContact CD2-CE1 4.15Å; L591-F637 HydrophobicContact CD2-CE2 3.79Å; L591-F637 HydrophobicContact CD2-CZ 3.77Å; A592-F637 HydrophobicContact CB-CB 3.83Å; A592-F637 HydrophobicContact CB-CD1 3.5Å; A592-F637 HydrophobicContact CB-CE1 4.42Å; A592-F637 HydrophobicContact CB-CG 4.02Å; V595-F637 HydrophobicContact CG2-CD1 3.65Å; V595-F637 HydrophobicContact CG2-CE1 3.42Å; V595-F637 VanDerWaalsContact CG2-CE1 3.42Å; V595-F637 HydrophobicContact CG2-CZ 4.29Å; V635-F637 HydrophobicContact CB-CD2 4.36Å; V635-F637 HydrophobicContact CB-CE2 3.77Å; V635-F637 HydrophobicContact CB-CZ 4.09Å; V635-F637 HydrophobicContact CG1-CD1 4.41Å; V635-F637 HydrophobicContact CG1-CD2 4.11Å; V635-F637 HydrophobicContact CG1-CE1 3.99Å; V635-F637 HydrophobicContact CG1-CE2 3.66Å; V635-F637 HydrophobicContact CG1-CG 4.47Å; V635-F637 HydrophobicContact CG1-CZ 3.59Å; F637-L644 CarbonylContact O-C 3.54Å; F637-L644 WeakPolarHBondContact O-CA 3.4Å; F637-F645 HydrophobicContact CB-CD1 4.26Å; F637-F645 HydrophobicContact CB-CE1 3.77Å; F637-F645 HydrophobicContact CB-CE2 4.26Å; F637-F645 HydrophobicContact CB-CZ 3.77Å; F637-F645 HydrophobicContact CD2-CE2 4.17Å; F637-F645 HydrophobicContact CD2-CZ 4.27Å; F637-F645 HydrophobicContact CG-CZ 4.28Å; F637-F645 PolarHBondContact N-O 2.98Å; F637-F645 PolarHBondContact O-N 3.41Å; F637-M647 HydrophobicContact CD2-CB 4.11Å; F637-M647 HydrophobicContact CE2-CB 4.03Å; F637-M647 HydrophobicContact CE2-SD 4.23Å
638Q91.6Very high88.7Confident21 Ų2156.2 Ų56.210%0.09832%0.32CS..EExtended strand (participates in β ladder)trans-104.5124.7171.3-170.9170.1-18.600110.3R593 R594 D642 L644R593-Q638 PolarHBondContact N-O 3.39Å; R594-Q638 HydrophobicContact CG-CB 3.98Å; R594-Q638 VanDerWaalsContact CZ-OE1 3.22Å; R594-Q638 PolarHBondContact N-O 2.97Å; R594-Q638 PolarHBondContact O-N 3.06Å; Q638-D642 PolarHBondContact NE2-OD1 3.22Å; Q638-L644 HydrophobicContact CB-CD2 3.67Å; Q638-L644 HydrophobicContact CG-CD2 3.91Å
639T86.1Confident89.3Confident27 Ų2753 Ų5317%0.16629%0.293CS..  trans-74.1174.9176.161.40000112.1G641 D642 T643 F645T639-G641 VanDerWaalsContact C-N 3.27Å; T639-G641 PolarHBondContact O-N 2.94Å; T639-D642 PolarHBondContact O-N 3.03Å; T639-T643 PolarHBondContact N-O 3.11Å; T639-T643 PolarHBondContact OG1-N 3.16Å; T639-T643 PolarHBondContact OG1-O 2.6Å; T639-T643 PolarHBondContact OG1-OG1 3.01Å; T639-F645 HydrophobicContact CG2-CD1 3.83Å; T639-F645 HydrophobicContact CG2-CE1 3.74Å
640E80.4Confident89.5Confident150 Ų15051.2 Ų51.270%0.70128%0.283SS*.THydrogen-bonded Turntrans-72.5-20.6176.6-62.7-173.2155.300113.2R593 D642R593-E640 HydrophobicContact CB-CG 4.2Å; E640-D642 VanDerWaalsContact C-N 3.32Å
641G78.4Confident89.7Confident64 Ų6446 Ų4666%0.6626%0.259SS*.THydrogen-bonded Turntrans-95.328.8170.200000113.3T639 T643T639-G641 VanDerWaalsContact C-N 3.27Å; T639-G641 PolarHBondContact O-N 2.94Å; G641-T643 PolarHBondContact O-N 2.91Å
642D77.3Confident89.7Confident92 Ų9247.3 Ų47.349%0.49227%0.269SS..SBendtrans54.33.3177.8-68.2-27.1000118.2Q638 T639 E640Q638-D642 PolarHBondContact NE2-OD1 3.22Å; T639-D642 PolarHBondContact O-N 3.03Å; E640-D642 VanDerWaalsContact C-N 3.32Å
643T86.6Confident89.7Confident94 Ų9443.7 Ų43.758%0.57725%0.253SS*.  trans-69.2135.8169.765.60000111T639 G641T639-T643 PolarHBondContact N-O 3.11Å; T639-T643 PolarHBondContact OG1-N 3.16Å; T639-T643 PolarHBondContact OG1-O 2.6Å; T639-T643 PolarHBondContact OG1-OG1 3.01Å; G641-T643 PolarHBondContact O-N 2.91Å
644L90.2Very high89.6Confident105 Ų10544.5 Ų44.555%0.5526%0.258SS..EExtended strand (participates in β ladder)trans-92143.7176.5-63.1174.3000110.9T636 F637 Q638T636-L644 HydrophobicContact CG2-CB 4.4Å; F637-L644 CarbonylContact O-C 3.54Å; F637-L644 WeakPolarHBondContact O-CA 3.4Å; Q638-L644 HydrophobicContact CB-CD2 3.67Å; Q638-L644 HydrophobicContact CG-CD2 3.91Å
645F92.1Very high89.2Confident30 Ų3041.4 Ų41.413%0.13224%0.241CC..EExtended strand (participates in β ladder)trans-145.6143.4165.672.2-83.6000111.2R570 L591 F637 T639 M647R570-F645 HydrophobicContact CG-CE2 4.24Å; L591-F645 HydrophobicContact CD1-CE2 4.36Å; L591-F645 HydrophobicContact CD1-CZ 3.86Å; L591-F645 HydrophobicContact CG-CZ 4.13Å; F637-F645 HydrophobicContact CB-CD1 4.26Å; F637-F645 HydrophobicContact CB-CE1 3.77Å; F637-F645 HydrophobicContact CB-CE2 4.26Å; F637-F645 HydrophobicContact CB-CZ 3.77Å; F637-F645 HydrophobicContact CD2-CE2 4.17Å; F637-F645 HydrophobicContact CD2-CZ 4.27Å; F637-F645 HydrophobicContact CG-CZ 4.28Å; F637-F645 PolarHBondContact N-O 2.98Å; F637-F645 PolarHBondContact O-N 3.41Å; T639-F645 HydrophobicContact CG2-CD1 3.83Å; T639-F645 HydrophobicContact CG2-CE1 3.74Å; F645-M647 HydrophobicContact CE2-CB 4.42Å
646T89.9Confident88.9Confident81 Ų8146.8 Ų46.850%0.49726%0.262SS..EExtended strand (participates in β ladder)trans-96.3140.5177.5-520000110.6N634 V635 T636N634-T646 WeakPolarHBondContact OD1-CG2 3.14Å; V635-T646 CarbonylContact O-C 3.56Å; V635-T646 WeakPolarHBondContact O-CA 3.34Å; T636-T646 PolarHBondContact OG1-OG1 3.21Å
647M90.3Very high87.7Confident15 Ų1553.8 Ų53.87%0.07429%0.293CS..EExtended strand (participates in β ladder)trans-130.4126.6179-178.8179.917400109.6L569 Q572 L591 V635 F637 F645 F649L569-M647 WeakPolarHBondContact O-CE 3.42Å; Q572-M647 VanDerWaalsContact O-CE 3.23Å; Q572-M647 WeakPolarHBondContact O-CE 3.21Å; L591-M647 HydrophobicContact CD2-SD 3.91Å; V635-M647 PolarHBondContact N-O 3.32Å; V635-M647 PolarHBondContact O-N 3.3Å; F637-M647 HydrophobicContact CD2-CB 4.11Å; F637-M647 HydrophobicContact CE2-CB 4.03Å; F637-M647 HydrophobicContact CE2-SD 4.23Å; F645-M647 HydrophobicContact CE2-CB 4.42Å; M647-F649 HydrophobicContact CE-CB 4.37Å; M647-F649 HydrophobicContact CE-CD1 4.38Å; M647-F649 HydrophobicContact CG-CD1 4.48Å
648I92.3Very high86.3Confident98 Ų9858.4 Ų58.450%0.50332%0.321SS..EExtended strand (participates in β ladder)trans-104.3127.4174.2-62170.6000108.1Q632 Y633 N634Q632-I648 HydrophobicContact CG-CG2 4.48Å; Y633-I648 WeakPolarHBondContact O-CA 3.46Å; N634-I648 HydrophobicContact CB-CG1 4.23Å; N634-I648 WeakPolarHBondContact OD1-CG1 3.4Å
649F93.8Very high84.4Confident1 Ų162.8 Ų62.80%0.00435%0.351CS..EExtended strand (participates in β ladder)trans-143.9158.8174.668.3-89.2000111.5L568 S573 Y575 Y633 V635 M647 V651L568-F649 HydrophobicContact CD1-CE1 4.15Å; L568-F649 HydrophobicContact CD1-CZ 4.1Å; L568-F649 HydrophobicContact CD2-CD2 4.35Å; L568-F649 HydrophobicContact CD2-CE1 4.29Å; L568-F649 HydrophobicContact CD2-CE2 4Å; L568-F649 HydrophobicContact CD2-CZ 3.97Å; S573-F649 CarbonylContact O-C 3.57Å; S573-F649 WeakPolarHBondContact O-CA 3.37Å; Y575-F649 HydrophobicContact CD2-CB 4.32Å; Y575-F649 AromaticContact CD2-CD2 3.77Å; Y575-F649 HydrophobicContact CD2-CD2 3.77Å; Y575-F649 HydrophobicContact CD2-CG 4.34Å; Y575-F649 HydrophobicContact CE2-CB 3.91Å; Y575-F649 AromaticContact CE2-CD2 3.85Å; Y575-F649 HydrophobicContact CE2-CD2 3.85Å; Y575-F649 HydrophobicContact CE2-CG 4.01Å; Y633-F649 HydrophobicContact CD1-CZ 4.46Å; Y633-F649 HydrophobicContact CD2-CD2 4.45Å; Y633-F649 AromaticContact CD2-CE2 3.8Å; Y633-F649 HydrophobicContact CD2-CE2 3.8Å; Y633-F649 HydrophobicContact CD2-CZ 4.12Å; Y633-F649 HydrophobicContact CG-CE1 4.44Å; Y633-F649 AromaticContact CG-CE2 3.99Å; Y633-F649 HydrophobicContact CG-CE2 3.99Å; Y633-F649 AromaticContact CG-CZ 3.84Å; Y633-F649 HydrophobicContact CG-CZ 3.84Å; Y633-F649 PolarHBondContact N-O 2.98Å; Y633-F649 PolarHBondContact O-N 3.34Å; V635-F649 HydrophobicContact CG2-CE1 3.95Å; M647-F649 HydrophobicContact CE-CB 4.37Å; M647-F649 HydrophobicContact CE-CD1 4.38Å; M647-F649 HydrophobicContact CG-CD1 4.48Å; F649-V651 HydrophobicContact CD2-CG2 4.22Å; F649-V651 HydrophobicContact CE2-CG2 4Å
650S92.3Very high82.6Confident16 Ų1670.1 Ų70.111%0.11238%0.383CS..EExtended strand (participates in β ladder)trans-121.6145.3-179.8-67.60000110.9S573 L574 Y575 V631S573-S650 PolarHBondContact O-N 3.15Å; L574-S650 WeakPolarHBondContact CA-O 3.47Å; Y575-S650 PolarHBondContact N-O 3.02Å; V631-S650 CarbonylContact O-C 3.52Å; V631-S650 WeakPolarHBondContact O-CA 3.07Å
651V93.7Very high80.5Confident0 Ų069.2 Ų69.20%039%0.389CS..EExtended strand (participates in β ladder)trans-114.4115.1175.7-170.30000108.1Y575 L577 F586 Q630 V631 Y633 F649 V653Y575-V651 CarbonylContact O-C 3.59Å; Y575-V651 WeakPolarHBondContact O-CA 3.05Å; L577-V651 HydrophobicContact CD1-CG1 4.26Å; L577-V651 HydrophobicContact CD2-CG1 4.14Å; L577-V651 HydrophobicContact CG-CG1 3.89Å; F586-V651 HydrophobicContact CE1-CG1 4.31Å; F586-V651 HydrophobicContact CE1-CG2 3.84Å; F586-V651 HydrophobicContact CE2-CG2 4.33Å; F586-V651 HydrophobicContact CZ-CB 4.32Å; F586-V651 HydrophobicContact CZ-CG1 3.75Å; F586-V651 HydrophobicContact CZ-CG2 3.55Å; Q630-V651 CarbonylContact C-O 3.57Å; Q630-V651 WeakPolarHBondContact CA-O 3.42Å; V631-V651 HydrophobicContact CB-CB 4.49Å; V631-V651 PolarHBondContact N-O 3.16Å; V631-V651 PolarHBondContact O-N 2.85Å; Y633-V651 HydrophobicContact CD2-CG2 4.07Å; Y633-V651 HydrophobicContact CE2-CG2 3.98Å; F649-V651 HydrophobicContact CD2-CG2 4.22Å; F649-V651 HydrophobicContact CE2-CG2 4Å; V651-V653 HydrophobicContact CB-CG1 4.31Å; V651-V653 HydrophobicContact CG1-CG1 3.64Å
652A91.7Very high78.7Confident27 Ų2773.7 Ų73.722%0.22340%0.397CS..EExtended strand (participates in β ladder)trans-81.1125.5169.100000109.4L574 Y575 T576 L577L574-A652 HydrophobicContact CD1-CB 4.36Å; Y575-A652 PolarHBondContact O-N 2.87Å; T576-A652 HydrophobicContact CG2-CB 4.24Å; L577-A652 PolarHBondContact N-O 3.26Å
653V92.1Very high76.5Confident5 Ų573.9 Ų73.93%0.0341%0.412CS..EExtended strand (participates in β ladder)trans-132.7143.3-173.4-51.30000110.2L577 V605 L622 A628 T629 V631 V651L577-V653 HydrophobicContact CD1-CB 4.13Å; L577-V653 HydrophobicContact CD1-CG1 3.48Å; L577-V653 VanDerWaalsContact CD1-CG1 3.48Å; L577-V653 HydrophobicContact CG-CG1 4.01Å; V605-V653 HydrophobicContact CB-CG2 4.23Å; V605-V653 HydrophobicContact CG1-CG2 3.63Å; V605-V653 HydrophobicContact CG2-CG2 3.75Å; L622-V653 HydrophobicContact CD1-CB 3.98Å; L622-V653 HydrophobicContact CD1-CG1 4Å; L622-V653 HydrophobicContact CD1-CG2 4.36Å; A628-V653 CarbonylContact C-O 3.55Å; A628-V653 VanDerWaalsContact CA-O 3.29Å; A628-V653 WeakPolarHBondContact CA-O 3.4Å; T629-V653 PolarHBondContact N-O 3.2Å; T629-V653 PolarHBondContact O-N 2.74Å; T629-V653 WeakPolarHBondContact OG1-CG2 3.41Å; V631-V653 HydrophobicContact CG2-CG2 4.35Å; V651-V653 HydrophobicContact CB-CG1 4.31Å; V651-V653 HydrophobicContact CG1-CG1 3.64Å
654D89.4Confident74.2Confident23 Ų2375.8 Ų75.812%0.12342%0.423CS..  trans-147.5104.3177.2-173.3-13.5000107.3L579 G580 A628 R656L579-D654 WeakPolarHBondContact CA-O 3.42Å; L579-D654 HydrophobicContact CD1-CB 4.4Å; L579-D654 WeakPolarHBondContact CD1-OD2 3.13Å; L579-D654 HydrophobicContact CG-CB 4.29Å; G580-D654 PolarHBondContact N-O 2.84Å; A628-D654 HydrophobicContact CB-CB 4.2Å; D654-R656 WeakPolarHBondContact OD1-CG 3.44Å; D654-R656 IonicContact OD1-CZ 2.64Å; D654-R656 IonicContact OD1-NE 3.6Å; D654-R656 PolarHBondContact OD1-NE 3.43Å; D654-R656 IonicContact OD1-NH2 3.61Å; D654-R656 IonicContact OD2-CZ 2.89Å; D654-R656 IonicContact OD2-NE 2.68Å; D654-R656 PolarHBondContact OD2-NE 2.92Å; D654-R656 IonicContact OD2-NH2 3.47Å; D654-R656 PolarHBondContact OD2-NH2 2.92Å
655T87.1Confident71.5Confident2 Ų282.5 Ų82.51%0.01244%0.441CS..  trans-102.814.7-168.672.30000112.8E581 T582 V605 L622 Y623 G625 Q626E581-T655 WeakPolarHBondContact O-CG2 3.32Å; T582-T655 HydrophobicContact CG2-CG2 4.13Å; V605-T655 HydrophobicContact CG2-CG2 3.98Å; L622-T655 HydrophobicContact CB-CG2 4.07Å; L622-T655 HydrophobicContact CD1-CG2 3.76Å; Y623-T655 WeakPolarHBondContact O-CB 3.43Å; Y623-T655 PolarHBondContact O-OG1 3.44Å; G625-T655 PolarHBondContact N-O 3.14Å; G625-T655 PolarHBondContact N-OG1 2.87Å; Q626-T655 WeakPolarHBondContact CB-OG1 3.29Å; Q626-T655 PolarHBondContact N-OG1 3.25Å; Q626-T655 PolarHBondContact O-N 3.09Å; Q626-T655 VanDerWaalsContact O-N 3.11Å
656R85.6Confident68.5Low112 Ų11284.7 Ų84.742%0.42347%0.472SS..PPolyproline II helixtrans-61.9138.9175.7-65.6179.9-69.2168.63.4111L579 Q626 D654 V658L579-R656 WeakPolarHBondContact CD2-O 3.31Å; Q626-R656 WeakPolarHBondContact O-CG 3.08Å; D654-R656 WeakPolarHBondContact OD1-CG 3.44Å; D654-R656 IonicContact OD1-CZ 2.64Å; D654-R656 IonicContact OD1-NE 3.6Å; D654-R656 PolarHBondContact OD1-NE 3.43Å; D654-R656 IonicContact OD1-NH2 3.61Å; D654-R656 IonicContact OD2-CZ 2.89Å; D654-R656 IonicContact OD2-NE 2.68Å; D654-R656 PolarHBondContact OD2-NE 2.92Å; D654-R656 IonicContact OD2-NH2 3.47Å; D654-R656 PolarHBondContact OD2-NH2 2.92Å; R656-V658 PolarHBondContact O-N 2.8Å
657E67.9Low65.6Low167 Ų16784 Ų8478%0.7848%0.482SS*.PPolyproline II helixtrans-67.2131.9179.2-62.9-173.2159.100111.1P659E657-P659 WeakPolarHBondContact O-CD 3.43Å
658V64.7Low62.5Low97 Ų9789.3 Ų89.359%0.58852%0.52SS*.PPolyproline II helixtrans-75.2122.4171.3-178.30000108.4L579 R656 Q660L579-V658 HydrophobicContact CD2-CG2 3.63Å; R656-V658 PolarHBondContact O-N 2.8Å; V658-Q660 PolarHBondContact O-N 2.9Å
659P50.9Low59.5Low112 Ų11293.2 Ų93.273%0.72753%0.534SS*.  trans-62.4112.6176.1-22.334000110.6E657 T661E657-P659 WeakPolarHBondContact O-CD 3.43Å; P659-T661 PolarHBondContact O-N 2.92Å; P659-T661 VanDerWaalsContact O-N 3.15Å
660Q47.2Very low56.4Low181 Ų181101.6 Ų101.685%0.84657%0.573SS**  trans-66.1114.6170.8-68.7-169.7300108.8V658 N662V658-Q660 PolarHBondContact O-N 2.9Å; Q660-N662 PolarHBondContact O-N 3.34Å; Q660-N662 VanDerWaalsContact O-N 3.15Å
661T37.2Very low53.3Low132 Ų132105.6 Ų105.681%0.8161%0.606SS**  trans-70.6109.4-179.441.10000110.4P659 A663P659-T661 PolarHBondContact O-N 2.92Å; P659-T661 VanDerWaalsContact O-N 3.15Å; T661-A663 PolarHBondContact O-N 2.87Å
662N39.6Very low50.1Low157 Ų157108.7 Ų108.784%0.8464%0.638SS**  trans-60.193.2179.1-75.5-42.3000112.2Q660 T664Q660-N662 PolarHBondContact O-N 3.34Å; Q660-N662 VanDerWaalsContact O-N 3.15Å; N662-T664 PolarHBondContact O-N 3.33Å
663A32.3Very low47.2Very low97 Ų97116.2 Ų116.280%0.80267%0.669SS**  trans-88.371.2177.700000111.6T661 R665T661-A663 PolarHBondContact O-N 2.87Å; A663-R665 PolarHBondContact O-N 3.18Å
664T38.2Very low44.4Very low133 Ų133123.2 Ų123.282%0.81670%0.702SS**  trans-59.3134.517038.40000111.6N662N662-T664 PolarHBondContact O-N 3.33Å
665R32.5Very low41.3Very low246 Ų246127 Ų12793%0.92873%0.73SS**  trans-132.6106.9166.1-90.3-171.2165.5172.5-2.5112.4A663A663-R665 PolarHBondContact O-N 3.18Å
666G30.3Very low38.3Very low76 Ų76135.4 Ų135.478%0.78477%0.766SS**  trans-67.2165147.600000110.7
667G28.7Very low35.5Very low67 Ų67138.2 Ų138.269%0.69179%0.789SS**  trans-90.6-175-173.100000115.4
668S25.8Very low33.6Very low126 Ų126136.1 Ų136.188%0.88179%0.787SS**  trans61.4148.5177.252.60000117.1
669K27.9Very low32.4Very low181 Ų181137 Ų13779%0.78780%0.795SS**  cis-169.6166.9-34.2-132.5-174.2179.6-170.70106.1
670E29.5Very low31.2Very low177 Ų177138.4 Ų138.483%0.82780%0.801SS**  trans62.9160.1176-72.2147.8-138.400114.7
671A27.4Very low30.2Very low99 Ų99133.7 Ų133.782%0.81879%0.794SS**  cis168.9144-34.900000104.4
672G26.6Very low30.4Very low65 Ų65136.7 Ų136.767%0.6780%0.799SS**  cis-159.3-173.2-2.500000110.7
673E31.2Very low29.9Very low186 Ų186134.8 Ų134.887%0.86980%0.795SS**  trans64.7142.9-170.6-55.5179.7-129.700114.4
674E31.3Very low30.1Very low152 Ų152136.4 Ų136.471%0.7180%0.795SS**SBendcis-146161.2-29.9-104.1-51.181.900107.5
675S26.3Very low29.7Very low102 Ų102138.1 Ų138.171%0.71379%0.791SS**  cis-128.8148.5456.30000113.7
676K24.1Very low29.6Very low179 Ų179131.3 Ų131.378%0.77878%0.778SS**  trans-157.5133.5-172.1-135.5175.7-173.9179.20115.1
677L25Very low29.7Very low171 Ų171136 Ų13690%0.89578%0.778SS**  trans-135.2134.5166.9-88170.7000111.7
678T28.2Very low30.4Very low123 Ų123136.9 Ų136.976%0.75577%0.773SS**  trans179.2161.5172.92.60000106.7
679P40.7Very low31.3Very low114 Ų114137.9 Ų137.974%0.7477%0.769SS**  cis-127.4170.2-641-26.7000114.2
680T24.5Very low32Very low142 Ų142133.4 Ų133.487%0.87175%0.752SS**  trans-137.3155.8163.2-47.40000109.5
681A26.8Very low32.8Very low83 Ų83128.4 Ų128.469%0.68674%0.735SS**PPolyproline II helixtrans-62.3165.6175.700000113.4P683A681-P683 WeakPolarHBondContact O-CD 3.5Å
682E40.6Very low33.5Very low195 Ų195131.1 Ų131.191%0.91173%0.731SS**PPolyproline II helixtrans-51.3117.5179.9-63.1179.8126.400113.1
683P30Very low34.3Very low117 Ų117136.3 Ų136.376%0.7674%0.738SS**PPolyproline II helixtrans-91.1136166.90.420.4000110.4A681A681-P683 WeakPolarHBondContact O-CD 3.5Å
684V36.6Very low35.2Very low131 Ų131135.3 Ų135.379%0.79473%0.73SS**PPolyproline II helixtrans-79.2139.9174171.40000110.2
685F29.8Very low35.8Very low168 Ų168135 Ų13574%0.73772%0.723SS**  trans73.5159.9170.8-94.2-127.6000116.4
686P30.4Very low36.7Very low103 Ų103132.9 Ų132.967%0.66972%0.718SS**  cis-115.3160.621.340.9-31.3000117.5
687F31.5Very low37Very low176 Ų176131.1 Ų131.177%0.77272%0.724SS**  trans-115.878.1166-101.8-66.9000111
688S43.9Very low37.6Very low84 Ų84129.9 Ų129.959%0.58771%0.712SS**  trans-161.3137.217231.10000108.4
689D44.7Very low37.9Very low148 Ų148131.9 Ų131.979%0.79172%0.716SS**  cis-135.2135-0.3-71.4-55.5000111.8
690I42.3Very low37.5Very low87 Ų87134.7 Ų134.745%0.44672%0.719SS.*SBendtrans-109.8125142.4-65.1-177.8000104.1E692 K694 R695I690-E692 PolarHBondContact O-N 2.86Å; I690-K694 HydrophobicContact CG2-CB 4.29Å; I690-R695 HydrophobicContact CG2-CG 4.2Å
691P47.9Very low37.9Very low72 Ų72137.6 Ų137.647%0.46872%0.72SS.*  trans-49.7134.7179.7-29.235.4000111.7E693 K694P691-E693 PolarHBondContact O-N 3.46Å; P691-K694 PolarHBondContact O-N 3.29Å
692E41.5Very low37.9Very low155 Ų155140.2 Ų140.272%0.72472%0.722SS**G310 helixtrans-54.2-26.9-173-76.7-151.483.100113.6I690 K694 K698I690-E692 PolarHBondContact O-N 2.86Å; E692-K694 PolarHBondContact O-N 3.46Å; E692-K694 VanDerWaalsContact O-N 3.08Å; E692-K698 IonicContact OE1-NZ 2.79Å; E692-K698 PolarHBondContact OE1-NZ 2.85Å
693E42.4Very low37.3Very low174 Ų174139.6 Ų139.681%0.81372%0.719SS**G310 helixtrans-50.3-24.5173-61166.1-12200114.9P691P691-E693 PolarHBondContact O-N 3.46Å
694K50.5Low37.7Very low165 Ų165139.2 Ų139.272%0.71772%0.717SS**G310 helixtrans-119.619.5-166.2-64.5-173.1179.8177.70115.4I690 P691 E692I690-K694 HydrophobicContact CG2-CB 4.29Å; P691-K694 PolarHBondContact O-N 3.29Å; E692-K694 PolarHBondContact O-N 3.46Å; E692-K694 VanDerWaalsContact O-N 3.08Å
695R45Very low37.6Very low145 Ų145137.6 Ų137.655%0.54772%0.717SS.*SBendtrans-119.872.8176.7-71.8-171.8176.1170.33.2113.9I690I690-R695 HydrophobicContact CG2-CG 4.2Å
696G44.6Very low37.6Very low59 Ų59138.5 Ų138.561%0.60872%0.724SS**  trans77.6161.9162.500000116.6K698G696-K698 PolarHBondContact O-N 3.31Å
697P31.1Very low37.8Very low141 Ų141138.9 Ų138.992%0.91673%0.728SS**  trans-76103.6-176.730-34000112
698K36.3Very low37.9Very low145 Ų145139 Ų13963%0.6373%0.731SS**PPolyproline II helixtrans-78.8126.5169.5-66.5178-177.7172.30110.1E692 G696 Q700E692-K698 IonicContact OE1-NZ 2.79Å; E692-K698 PolarHBondContact OE1-NZ 2.85Å; G696-K698 PolarHBondContact O-N 3.31Å; K698-Q700 PolarHBondContact O-N 2.83Å
699I35.2Very low37.7Very low166 Ų166139.4 Ų139.485%0.85174%0.74SS**PPolyproline II helixtrans-67117.2167-63.1173.7000108.2K701I699-K701 PolarHBondContact O-N 2.92Å
700Q32Very low37.6Very low172 Ų172139.3 Ų139.380%0.80474%0.739SS**PPolyproline II helixtrans-72.4117.2-179.9-73.2-176.7-18.400111.6K698K698-Q700 PolarHBondContact O-N 2.83Å
701K33Very low38Very low203 Ų203138.3 Ų138.388%0.88373%0.734SS**PPolyproline II helixtrans-86.6121.4153.1-78.8-177.5172.8178.90108.1I699I699-K701 PolarHBondContact O-N 2.92Å
702N26.8Very low38.2Very low138 Ų138142.9 Ų142.974%0.73875%0.749SS**PPolyproline II helixtrans-71.3135.1174.8-67.8-26.4000111
703H28Very low39.2Very low182 Ų182137.6 Ų137.684%0.84373%0.727SS**  trans-136.1166.8154.3-103.2-60000108.3
704P39.4Very low40.1Very low110 Ų110130.3 Ų130.371%0.71470%0.695SS**SBend-101.7142.7-129.436.8-33.9000114.4
705A33.6Very low40.5Very low97 Ų97130.6 Ų130.680%0.80270%0.703SS**  trans62.7134.9-177.900000113
706E29.5Very low41.6Very low187 Ų187124.4 Ų124.487%0.87468%0.682SS**SBendcis-138.3161.310.1-58.7171.4147.400107.8
707S35.3Very low42.8Very low110 Ų110126.6 Ų126.677%0.76968%0.679SS**  cis-128.5154.9-7.8-74.60000108.4A709S707-A709 PolarHBondContact O-N 2.86Å
708Q34Very low44.8Very low178 Ų178124 Ų12483%0.83266%0.657SS**  trans-64.8125.4170.5-71175.7-16.800109.8L710Q708-L710 PolarHBondContact O-N 2.88Å
709A38.7Very low46.4Very low93 Ų93120.8 Ų120.877%0.76965%0.652SS**  trans-64.4100.9164.600000108.1S707 I711S707-A709 PolarHBondContact O-N 2.86Å; A709-I711 PolarHBondContact O-N 2.69Å
710L42.3Very low48.1Very low146 Ų146117.4 Ų117.476%0.76464%0.64SS**  trans-64.599.6174.7-81.7162000108.6Q708 Q712Q708-L710 PolarHBondContact O-N 2.88Å; L710-Q712 VanDerWaalsContact C-N 3.27Å; L710-Q712 PolarHBondContact O-N 2.79Å
711I50.2Low50.4Low66 Ų66109.3 Ų109.334%0.33860%0.601SS.*  trans-68.690.1172.4-60.1161.2000106.9A709 V713 K744 N747 L748 A751A709-I711 PolarHBondContact O-N 2.69Å; I711-V713 HydrophobicContact CG2-CG2 4.39Å; I711-V713 PolarHBondContact O-N 3.27Å; I711-K744 HydrophobicContact CD1-CG 4.39Å; I711-N747 HydrophobicContact CG2-CB 4.48Å; I711-L748 HydrophobicContact CD1-CD1 4.44Å; I711-L748 HydrophobicContact CD1-CG 4.09Å; I711-A751 HydrophobicContact CG2-CB 4.13Å
712Q52.5Low52.8Low169 Ų169102.4 Ų102.479%0.7958%0.578SS**  trans-71.896.5171.7-71.8-176.3-20.400108.4L710 P714L710-Q712 VanDerWaalsContact C-N 3.27Å; L710-Q712 PolarHBondContact O-N 2.79Å; Q712-P714 WeakPolarHBondContact O-CD 3.18Å
713V63.5Low55.4Low43 Ų43101.5 Ų101.526%0.26157%0.572SS.*  trans-67.9124.5167.6-174.30000107.5I711 L715 N747 K750 A751 L754I711-V713 HydrophobicContact CG2-CG2 4.39Å; I711-V713 PolarHBondContact O-N 3.27Å; V713-L715 PolarHBondContact O-N 3.08Å; V713-N747 HydrophobicContact CG2-CB 4.35Å; V713-K750 HydrophobicContact CG1-CG 4.05Å; V713-A751 HydrophobicContact CG2-CB 4.34Å; V713-L754 HydrophobicContact CG1-CD1 3.96Å
714P61.7Low58.1Low21 Ų2197.7 Ų97.714%0.13656%0.562CS.*  trans-60.8130.8-179.1-25.735.9000112.2Q712 V716 L754Q712-P714 WeakPolarHBondContact O-CD 3.18Å; P714-V716 HydrophobicContact CB-CG2 4.02Å; P714-V716 PolarHBondContact O-N 2.8Å; P714-L754 HydrophobicContact CB-CB 4.45Å; P714-L754 HydrophobicContact CG-CB 4.36Å
715L58.5Low60.2Low172 Ų17293 Ų9390%0.90153%0.531SS*.  trans-77.969.1177.3-82.3164.2000111.2V713V713-L715 PolarHBondContact O-N 3.08Å
716V67.6Low62.6Low15 Ų1592.4 Ų92.49%0.09151%0.508CS..  trans-88.8134.8175.1-170.90000110P714 I718 L721 L754P714-V716 HydrophobicContact CB-CG2 4.02Å; P714-V716 PolarHBondContact O-N 2.8Å; V716-I718 PolarHBondContact O-N 3.03Å; V716-I718 VanDerWaalsContact O-N 3.08Å; V716-L721 HydrophobicContact CG1-CD2 3.82Å; V716-L721 HydrophobicContact CG1-CG 4.32Å; V716-L754 HydrophobicContact CB-CD2 4.39Å
717N70.5Confident65.3Low104 Ų10487.5 Ų87.556%0.55649%0.488SS*.  trans-68.9106.9175.9-177.9-8.9000110.3S719 V720N717-S719 VanDerWaalsContact CG-OG 3.31Å; N717-S719 PolarHBondContact ND2-OG 3.23Å; N717-S719 PolarHBondContact O-N 2.66Å; N717-S719 PolarHBondContact OD1-N 2.84Å; N717-S719 PolarHBondContact OD1-OG 3.27Å; N717-V720 HydrophobicContact CB-CG2 4.12Å; N717-V720 WeakPolarHBondContact O-CB 3.43Å; N717-V720 PolarHBondContact O-N 3.37Å
718I71.8Confident67.8Low87 Ų8786.9 Ų86.945%0.44647%0.472SS..G310 helixtrans-54-31.5-172.4-57.4173.6000112.6V716 V720 L721 R726V716-I718 PolarHBondContact O-N 3.03Å; V716-I718 VanDerWaalsContact O-N 3.08Å; I718-V720 PolarHBondContact O-N 2.87Å; I718-L721 HydrophobicContact CG2-CD1 4.42Å; I718-L721 PolarHBondContact O-N 2.85Å; I718-R726 HydrophobicContact CG2-CG 3.98Å; I718-R726 WeakPolarHBondContact O-CD 3.38Å
719S70.7Confident70.3Confident77 Ų7778.8 Ų78.854%0.53844%0.435SS..G310 helixtrans-63.7-22.5179.163.20000114.4N717 R726N717-S719 VanDerWaalsContact CG-OG 3.31Å; N717-S719 PolarHBondContact ND2-OG 3.23Å; N717-S719 PolarHBondContact O-N 2.66Å; N717-S719 PolarHBondContact OD1-N 2.84Å; N717-S719 PolarHBondContact OD1-OG 3.27Å; S719-R726 PolarHBondContact O-NH2 2.92Å
720V71.4Confident72.6Confident96 Ų9680.4 Ų80.458%0.58243%0.427SS*.G310 helixtrans-90-15-179-168.20000112.2N717 I718N717-V720 HydrophobicContact CB-CG2 4.12Å; N717-V720 WeakPolarHBondContact O-CB 3.43Å; N717-V720 PolarHBondContact O-N 3.37Å; I718-V720 PolarHBondContact O-N 2.87Å
721L78.9Confident74.8Confident1 Ų176.1 Ų76.11%0.00541%0.407CS..SBendtrans-69.9150.7-178.4-65.5172.5000112.3V716 I718 V725 R726 L729 L754 Y757V716-L721 HydrophobicContact CG1-CD2 3.82Å; V716-L721 HydrophobicContact CG1-CG 4.32Å; I718-L721 HydrophobicContact CG2-CD1 4.42Å; I718-L721 PolarHBondContact O-N 2.85Å; L721-V725 HydrophobicContact CD1-CG1 4.28Å; L721-R726 HydrophobicContact CB-CG 4.27Å; L721-R726 VanDerWaalsContact O-CZ 3.27Å; L721-R726 PolarHBondContact O-NE 2.98Å; L721-R726 PolarHBondContact O-NH2 3.06Å; L721-L729 HydrophobicContact CD1-CD1 3.71Å; L721-L754 HydrophobicContact CD1-CD2 3.55Å; L721-L754 HydrophobicContact CD2-CD2 4.13Å; L721-L754 HydrophobicContact CG-CD2 4.5Å; L721-Y757 HydrophobicContact CD2-CD1 4.25Å; L721-Y757 HydrophobicContact CD2-CD2 3.95Å; L721-Y757 HydrophobicContact CD2-CG 3.74Å
722P84.4Confident76.6Confident59 Ų5973.5 Ų73.538%0.38339%0.393SS..  trans-54.9147.8171.8-24.134.2000112.2V724 V725 R726 Y757P722-V724 VanDerWaalsContact C-N 3.26Å; P722-V724 PolarHBondContact O-N 2.74Å; P722-V725 HydrophobicContact CB-CG2 4.2Å; P722-V725 HydrophobicContact CG-CG2 4.27Å; P722-V725 PolarHBondContact O-N 3.33Å; P722-R726 PolarHBondContact O-N 2.99Å; P722-R726 VanDerWaalsContact O-N 3.12Å; P722-Y757 HydrophobicContact CG-CE1 4.15Å
723L81.1Confident78.3Confident118 Ų11869.4 Ų69.462%0.61837%0.374SS*.Hα-helixtrans-56.6-40.2-176.7-173.765.8000112.3V725 R726 N727L723-V725 VanDerWaalsContact C-N 3.33Å; L723-V725 PolarHBondContact O-N 3.1Å; L723-R726 WeakPolarHBondContact O-CB 2.96Å; L723-R726 PolarHBondContact O-N 3.04Å; L723-R726 VanDerWaalsContact O-N 3.17Å; L723-N727 PolarHBondContact O-N 3.49Å; L723-N727 PolarHBondContact O-OD1 3.04Å; L723-N727 VanDerWaalsContact O-OD1 3.04Å
724V83.8Confident79.4Confident103 Ų10372.8 Ų72.862%0.62439%0.387SS*.Hα-helixtrans-57.5-45.3177-174.80000111.4P722 R726 N727 E728P722-V724 VanDerWaalsContact C-N 3.26Å; P722-V724 PolarHBondContact O-N 2.74Å; V724-R726 VanDerWaalsContact C-N 3.33Å; V724-R726 PolarHBondContact O-N 3.04Å; V724-N727 PolarHBondContact O-N 3.32Å; V724-E728 PolarHBondContact O-N 3.06Å
725V84.6Confident80.5Confident12 Ų1276.4 Ų76.47%0.07340%0.401CS..Hα-helixtrans-68.7-32.9-179.9-176.30000111.2L721 P722 L723 L729 Y757L721-V725 HydrophobicContact CD1-CG1 4.28Å; P722-V725 HydrophobicContact CB-CG2 4.2Å; P722-V725 HydrophobicContact CG-CG2 4.27Å; P722-V725 PolarHBondContact O-N 3.33Å; L723-V725 VanDerWaalsContact C-N 3.33Å; L723-V725 PolarHBondContact O-N 3.1Å; V725-L729 HydrophobicContact CG1-CD1 4.22Å; V725-L729 WeakPolarHBondContact O-CB 3.28Å; V725-L729 WeakPolarHBondContact O-CG 3.41Å; V725-L729 PolarHBondContact O-N 2.73Å; V725-Y757 HydrophobicContact CG1-CE2 4.13Å; V725-Y757 HydrophobicContact CG2-CE2 3.79Å
726R83.1Confident81.8Confident84 Ų8470.6 Ų70.632%0.31737%0.37SS..Hα-helixtrans-65-47.6172.2-81.8-178-95.5177.3-15.2111.9I718 S719 L721 P722 L723 V724 E728 L729 E730I718-R726 HydrophobicContact CG2-CG 3.98Å; I718-R726 WeakPolarHBondContact O-CD 3.38Å; S719-R726 PolarHBondContact O-NH2 2.92Å; L721-R726 HydrophobicContact CB-CG 4.27Å; L721-R726 VanDerWaalsContact O-CZ 3.27Å; L721-R726 PolarHBondContact O-NE 2.98Å; L721-R726 PolarHBondContact O-NH2 3.06Å; P722-R726 PolarHBondContact O-N 2.99Å; P722-R726 VanDerWaalsContact O-N 3.12Å; L723-R726 WeakPolarHBondContact O-CB 2.96Å; L723-R726 PolarHBondContact O-N 3.04Å; L723-R726 VanDerWaalsContact O-N 3.17Å; V724-R726 VanDerWaalsContact C-N 3.33Å; V724-R726 PolarHBondContact O-N 3.04Å; R726-E728 VanDerWaalsContact C-N 3.33Å; R726-E728 PolarHBondContact O-N 2.79Å; R726-L729 PolarHBondContact O-N 3.4Å; R726-E730 WeakPolarHBondContact O-CG 3.34Å; R726-E730 PolarHBondContact O-N 3.28Å
727N86.3Confident82.3Confident84 Ų8477 Ų7745%0.44940%0.403SS..Hα-helixtrans-62.2-39.4175.9-68.534.9000111.8L723 V724 E730 T731L723-N727 PolarHBondContact O-N 3.49Å; L723-N727 PolarHBondContact O-OD1 3.04Å; L723-N727 VanDerWaalsContact O-OD1 3.04Å; V724-N727 PolarHBondContact O-N 3.32Å; N727-E730 PolarHBondContact O-N 3.45Å; N727-T731 WeakPolarHBondContact O-CG2 3.48Å; N727-T731 PolarHBondContact O-N 3.24Å; N727-T731 PolarHBondContact O-OG1 2.89Å
728E87.2Confident82.9Confident96 Ų9677.2 Ų77.245%0.44940%0.404SS..Hα-helixtrans-65.2-38.8174.4-75.1-168.9160.800112.4V724 R726 T731 L732 L753V724-E728 PolarHBondContact O-N 3.06Å; R726-E728 VanDerWaalsContact C-N 3.33Å; R726-E728 PolarHBondContact O-N 2.79Å; E728-T731 PolarHBondContact O-N 2.83Å; E728-T731 PolarHBondContact O-OG1 3.01Å; E728-T731 VanDerWaalsContact O-OG1 3.11Å; E728-L732 VanDerWaalsContact O-CB 3.31Å; E728-L732 WeakPolarHBondContact O-CB 3.46Å; E728-L732 PolarHBondContact O-N 3.17Å; E728-L753 WeakPolarHBondContact OE2-CD2 3.42Å
729L86.4Confident82.8Confident8 Ų875.8 Ų75.84%0.04241%0.411CS..Hα-helixtrans-65-41.1173.4-73.6169.3000112.3L721 V725 R726 L732 E733 K750 L753 L754L721-L729 HydrophobicContact CD1-CD1 3.71Å; V725-L729 HydrophobicContact CG1-CD1 4.22Å; V725-L729 WeakPolarHBondContact O-CB 3.28Å; V725-L729 WeakPolarHBondContact O-CG 3.41Å; V725-L729 PolarHBondContact O-N 2.73Å; R726-L729 PolarHBondContact O-N 3.4Å; L729-L732 PolarHBondContact O-N 3.08Å; L729-E733 WeakPolarHBondContact O-CB 3.48Å; L729-E733 PolarHBondContact O-N 2.84Å; L729-K750 HydrophobicContact CD2-CB 4.47Å; L729-K750 HydrophobicContact CD2-CD 4.03Å; L729-K750 HydrophobicContact CD2-CG 3.73Å; L729-L753 HydrophobicContact CD2-CD1 4.13Å; L729-L754 HydrophobicContact CD1-CD2 4.21Å
730E88.4Confident82.6Confident127 Ų12778 Ų7859%0.59342%0.417SS*.Hα-helixtrans-62.4-47.3174.8-73.9175.1176.100111.5R726 N727 L732 E733 E734R726-E730 WeakPolarHBondContact O-CG 3.34Å; R726-E730 PolarHBondContact O-N 3.28Å; N727-E730 PolarHBondContact O-N 3.45Å; E730-L732 VanDerWaalsContact C-N 3.27Å; E730-L732 PolarHBondContact O-N 3.49Å; E730-E733 WeakPolarHBondContact O-CB 3.3Å; E730-E733 PolarHBondContact O-N 3.2Å; E730-E733 VanDerWaalsContact O-N 3.1Å; E730-E734 PolarHBondContact O-N 2.83Å
731T88.1Confident82.8Confident57 Ų5775.1 Ų75.135%0.3540%0.398SS..Hα-helixtrans-68.2-24.3176.763.90000113.4N727 E728 K735N727-T731 WeakPolarHBondContact O-CG2 3.48Å; N727-T731 PolarHBondContact O-N 3.24Å; N727-T731 PolarHBondContact O-OG1 2.89Å; E728-T731 PolarHBondContact O-N 2.83Å; E728-T731 PolarHBondContact O-OG1 3.01Å; E728-T731 VanDerWaalsContact O-OG1 3.11Å; T731-K735 WeakPolarHBondContact O-CB 3.42Å; T731-K735 WeakPolarHBondContact O-CD 3.36Å; T731-K735 WeakPolarHBondContact O-CG 3.32Å; T731-K735 PolarHBondContact O-N 2.75Å; T731-K735 VanDerWaalsContact O-N 3.08Å
732L88Confident82.8Confident11 Ų1179.9 Ų79.96%0.05843%0.427CS..Hα-helixtrans-72.9-34.3171.6-172.268.3000111.5E728 L729 E730 L736 I741 Y746 T749 K750 L753E728-L732 VanDerWaalsContact O-CB 3.31Å; E728-L732 WeakPolarHBondContact O-CB 3.46Å; E728-L732 PolarHBondContact O-N 3.17Å; L729-L732 PolarHBondContact O-N 3.08Å; E730-L732 VanDerWaalsContact C-N 3.27Å; E730-L732 PolarHBondContact O-N 3.49Å; L732-L736 PolarHBondContact O-N 2.81Å; L732-L736 VanDerWaalsContact O-N 3.17Å; L732-I741 HydrophobicContact CD1-CD1 3.84Å; L732-Y746 HydrophobicContact CD2-CD2 4.21Å; L732-Y746 HydrophobicContact CG-CD2 3.84Å; L732-Y746 HydrophobicContact CG-CE2 4.37Å; L732-T749 HydrophobicContact CD1-CG2 3.77Å; L732-T749 HydrophobicContact CD2-CG2 3.91Å; L732-K750 HydrophobicContact CD2-CB 3.99Å; L732-L753 HydrophobicContact CD2-CD1 4Å
733E88.2Confident82.5Confident82 Ų8281.5 Ų81.538%0.38344%0.436SS..Hα-helixtrans-72.9-38.9175.7-145139.7-85.500111.4L729 E730 L736 L737 Y746 K750L729-E733 WeakPolarHBondContact O-CB 3.48Å; L729-E733 PolarHBondContact O-N 2.84Å; E730-E733 WeakPolarHBondContact O-CB 3.3Å; E730-E733 PolarHBondContact O-N 3.2Å; E730-E733 VanDerWaalsContact O-N 3.1Å; E733-L736 WeakPolarHBondContact O-CB 3.46Å; E733-L736 PolarHBondContact O-N 3.28Å; E733-L737 PolarHBondContact O-N 3.23Å; E733-Y746 HydrophobicContact CB-CE2 4.23Å; E733-Y746 HydrophobicContact CG-CE2 4.11Å; E733-Y746 PolarHBondContact OE1-OH 3.22Å; E733-K750 IonicContact OE1-NZ 2.91Å; E733-K750 PolarHBondContact OE1-NZ 3.49Å
734E87.6Confident82.2Confident114 Ų11482.8 Ų82.853%0.53344%0.436SS..Hα-helixtrans-62.2-45.2170.7-173177.2-153.700111.9E730 L736 L737 N738E730-E734 PolarHBondContact O-N 2.83Å; E734-L736 PolarHBondContact O-N 2.69Å; E734-L737 WeakPolarHBondContact O-CB 3.17Å; E734-L737 PolarHBondContact O-N 2.9Å; E734-L737 VanDerWaalsContact O-N 3.11Å; E734-N738 WeakPolarHBondContact O-CB 3.38Å; E734-N738 PolarHBondContact O-N 3.29Å
735K83.1Confident81.7Confident98 Ų9878.8 Ų78.843%0.42642%0.416SS..Hα-helixtrans-61-29.3173.2-75.8164.7-171.5163.40113.1T731 G739 D740 I741T731-K735 WeakPolarHBondContact O-CB 3.42Å; T731-K735 WeakPolarHBondContact O-CD 3.36Å; T731-K735 WeakPolarHBondContact O-CG 3.32Å; T731-K735 PolarHBondContact O-N 2.75Å; T731-K735 VanDerWaalsContact O-N 3.08Å; K735-G739 PolarHBondContact O-N 2.93Å; K735-D740 HydrophobicContact CB-CB 4.14Å; K735-D740 HydrophobicContact CG-CB 4.28Å; K735-D740 PolarHBondContact O-N 3.3Å; K735-I741 HydrophobicContact CB-CG2 3.95Å; K735-I741 PolarHBondContact O-N 3.29Å
736L86.2Confident81.8Confident50 Ų5079.4 Ų79.426%0.26242%0.417SS..Hα-helixtrans-74.4-39.3174.3-179.864000111.4L732 E733 E734 G739 I741 V743 Y746L732-L736 PolarHBondContact O-N 2.81Å; L732-L736 VanDerWaalsContact O-N 3.17Å; E733-L736 WeakPolarHBondContact O-CB 3.46Å; E733-L736 PolarHBondContact O-N 3.28Å; E734-L736 PolarHBondContact O-N 2.69Å; L736-G739 PolarHBondContact O-N 3.16Å; L736-I741 HydrophobicContact CB-CG2 4.09Å; L736-I741 HydrophobicContact CD1-CG2 4.49Å; L736-I741 VanDerWaalsContact CD1-O 3.3Å; L736-I741 WeakPolarHBondContact CD1-O 3.21Å; L736-V743 HydrophobicContact CD1-CB 4.43Å; L736-V743 HydrophobicContact CD1-CG2 3.94Å; L736-Y746 HydrophobicContact CB-CD2 3.87Å; L736-Y746 HydrophobicContact CB-CE2 4.49Å; L736-Y746 HydrophobicContact CB-CG 4.35Å; L736-Y746 HydrophobicContact CD2-CD1 3.93Å; L736-Y746 HydrophobicContact CD2-CD2 3.72Å; L736-Y746 HydrophobicContact CD2-CE1 4.23Å; L736-Y746 HydrophobicContact CD2-CE2 4.03Å; L736-Y746 HydrophobicContact CD2-CG 3.68Å; L736-Y746 HydrophobicContact CG-CD2 4.34Å; L736-Y746 HydrophobicContact CG-CG 4.42Å
737L79.3Confident81.7Confident149 Ų14978.1 Ų78.178%0.7842%0.416SS*.Hα-helixtrans-65.4-40.3174.9-85.7157.9000112.7E733 E734 G739E733-L737 PolarHBondContact O-N 3.23Å; E734-L737 WeakPolarHBondContact O-CB 3.17Å; E734-L737 PolarHBondContact O-N 2.9Å; E734-L737 VanDerWaalsContact O-N 3.11Å; L737-G739 VanDerWaalsContact C-N 3.29Å; L737-G739 PolarHBondContact O-N 3.43Å
738N81.6Confident81.5Confident108 Ų10878.3 Ų78.358%0.57842%0.417SS*.Hα-helixtrans-75.9-15.9177.3-66.2-14.7000113.1E734 D740E734-N738 WeakPolarHBondContact O-CB 3.38Å; E734-N738 PolarHBondContact O-N 3.29Å; N738-D740 WeakPolarHBondContact CB-OD2 3.39Å
739G71.3Confident81.3Confident57 Ų5776.4 Ų76.459%0.58841%0.412SS*.THydrogen-bonded Turntrans86.91.1-179.200000115.2K735 L736 L737 I741K735-G739 PolarHBondContact O-N 2.93Å; L736-G739 PolarHBondContact O-N 3.16Å; L737-G739 VanDerWaalsContact C-N 3.29Å; L737-G739 PolarHBondContact O-N 3.43Å; G739-I741 PolarHBondContact O-N 2.92Å
740D64.8Low81.2Confident125 Ų12577.5 Ų77.567%0.66842%0.416SS*.SBendtrans-60.7-25.9176.9-61.9-49.5000112.9K735 N738K735-D740 HydrophobicContact CB-CB 4.14Å; K735-D740 HydrophobicContact CG-CB 4.28Å; K735-D740 PolarHBondContact O-N 3.3Å; N738-D740 WeakPolarHBondContact CB-OD2 3.39Å
741I77.3Confident80.9Confident35 Ų3572.3 Ų72.318%0.17940%0.395CS..SBendtrans-128.5137173.7-161.3171.7000111.4L732 K735 L736 G739L732-I741 HydrophobicContact CD1-CD1 3.84Å; K735-I741 HydrophobicContact CB-CG2 3.95Å; K735-I741 PolarHBondContact O-N 3.29Å; L736-I741 HydrophobicContact CB-CG2 4.09Å; L736-I741 HydrophobicContact CD1-CG2 4.49Å; L736-I741 VanDerWaalsContact CD1-O 3.3Å; L736-I741 WeakPolarHBondContact CD1-O 3.21Å; G739-I741 PolarHBondContact O-N 2.92Å
742T78.7Confident80.7Confident100 Ų10074.8 Ų74.861%0.61340%0.403SS*.  trans-71.2153.8174.5670000111.3K744 G745 Y746T742-K744 PolarHBondContact O-N 3.33Å; T742-K744 VanDerWaalsContact O-N 3.09Å; T742-G745 CarbonylContact O-C 3.53Å; T742-G745 WeakPolarHBondContact O-CA 3.38Å; T742-G745 PolarHBondContact O-N 3.49Å; T742-G745 PolarHBondContact OG1-N 3.15Å; T742-Y746 PolarHBondContact O-N 3.18Å
743V78.1Confident80.5Confident94 Ų9476.2 Ų76.257%0.5741%0.41SS*.Hα-helixtrans-50.8-37.3175.3-177.80000112.4L736 N747L736-V743 HydrophobicContact CD1-CB 4.43Å; L736-V743 HydrophobicContact CD1-CG2 3.94Å; V743-N747 WeakPolarHBondContact O-CB 3.42Å; V743-N747 PolarHBondContact O-N 2.96Å
744K73.9Confident80.2Confident144 Ų14472.6 Ų72.663%0.62639%0.394SS*.Hα-helixtrans-69-39.9176.1-172.5-178.9178-174.20112.2I711 T742 L748I711-K744 HydrophobicContact CD1-CG 4.39Å; T742-K744 PolarHBondContact O-N 3.33Å; T742-K744 VanDerWaalsContact O-N 3.09Å; K744-L748 PolarHBondContact O-N 2.79Å; K744-L748 VanDerWaalsContact O-N 3.14Å
745G73.4Confident79.8Confident19 Ų1973.4 Ų73.420%0.19640%0.396CS..Hα-helixtrans-63.9-51173.600000111.5T742 N747 L748 T749T742-G745 CarbonylContact O-C 3.53Å; T742-G745 WeakPolarHBondContact O-CA 3.38Å; T742-G745 PolarHBondContact O-N 3.49Å; T742-G745 PolarHBondContact OG1-N 3.15Å; G745-N747 VanDerWaalsContact C-N 3.34Å; G745-N747 PolarHBondContact O-N 3.14Å; G745-L748 WeakPolarHBondContact O-CB 3.45Å; G745-L748 PolarHBondContact O-N 3.48Å; G745-T749 PolarHBondContact O-N 3.15Å; G745-T749 PolarHBondContact O-OG1 3.12Å
746Y86.5Confident79.5Confident26 Ų2673 Ų7310%0.10240%0.403CS..Hα-helixtrans-52.6-48.1175.4165.5-83.4000111.8L732 E733 L736 T742 L748 T749 K750L732-Y746 HydrophobicContact CD2-CD2 4.21Å; L732-Y746 HydrophobicContact CG-CD2 3.84Å; L732-Y746 HydrophobicContact CG-CE2 4.37Å; E733-Y746 HydrophobicContact CB-CE2 4.23Å; E733-Y746 HydrophobicContact CG-CE2 4.11Å; E733-Y746 PolarHBondContact OE1-OH 3.22Å; L736-Y746 HydrophobicContact CB-CD2 3.87Å; L736-Y746 HydrophobicContact CB-CE2 4.49Å; L736-Y746 HydrophobicContact CB-CG 4.35Å; L736-Y746 HydrophobicContact CD2-CD1 3.93Å; L736-Y746 HydrophobicContact CD2-CD2 3.72Å; L736-Y746 HydrophobicContact CD2-CE1 4.23Å; L736-Y746 HydrophobicContact CD2-CE2 4.03Å; L736-Y746 HydrophobicContact CD2-CG 3.68Å; L736-Y746 HydrophobicContact CG-CD2 4.34Å; L736-Y746 HydrophobicContact CG-CG 4.42Å; T742-Y746 PolarHBondContact O-N 3.18Å; Y746-L748 VanDerWaalsContact C-N 3.33Å; Y746-L748 PolarHBondContact O-N 3.38Å; Y746-T749 PolarHBondContact O-N 3.33Å; Y746-K750 HydrophobicContact CE1-CD 3.83Å; Y746-K750 HydrophobicContact CE2-CD 4.19Å; Y746-K750 WeakPolarHBondContact O-CB 3.4Å; Y746-K750 PolarHBondContact O-N 3.4Å; Y746-K750 WeakPolarHBondContact OH-CD 3.21Å; Y746-K750 PolarHBondContact OH-NZ 3.15Å
747N80.9Confident78.9Confident56 Ų5673.6 Ų73.630%0.29940%0.402SS..Hα-helixtrans-66-33.7179-77.7-20000112.9I711 V713 V743 G745 A751I711-N747 HydrophobicContact CG2-CB 4.48Å; V713-N747 HydrophobicContact CG2-CB 4.35Å; V743-N747 WeakPolarHBondContact O-CB 3.42Å; V743-N747 PolarHBondContact O-N 2.96Å; G745-N747 VanDerWaalsContact C-N 3.34Å; G745-N747 PolarHBondContact O-N 3.14Å; N747-A751 VanDerWaalsContact O-CB 3.22Å; N747-A751 WeakPolarHBondContact O-CB 3.48Å; N747-A751 PolarHBondContact O-N 3.24Å
748L81.8Confident78Confident88 Ų8871.4 Ų71.446%0.46139%0.388SS..Hα-helixtrans-67.2-52.7172.9-99159.3000111.5I711 K744 G745 Y746 K750 A751 E752I711-L748 HydrophobicContact CD1-CD1 4.44Å; I711-L748 HydrophobicContact CD1-CG 4.09Å; K744-L748 PolarHBondContact O-N 2.79Å; K744-L748 VanDerWaalsContact O-N 3.14Å; G745-L748 WeakPolarHBondContact O-CB 3.45Å; G745-L748 PolarHBondContact O-N 3.48Å; Y746-L748 VanDerWaalsContact C-N 3.33Å; Y746-L748 PolarHBondContact O-N 3.38Å; L748-K750 VanDerWaalsContact C-N 3.33Å; L748-K750 PolarHBondContact O-N 2.87Å; L748-A751 PolarHBondContact O-N 2.98Å; L748-E752 WeakPolarHBondContact O-CB 3.36Å; L748-E752 PolarHBondContact O-N 2.84Å
749T83.3Confident76.8Confident57 Ų5770 Ų7035%0.3539%0.387SS..Hα-helixtrans-64.6-36.5-179.8-520000111.7L732 G745 Y746 E752 L753L732-T749 HydrophobicContact CD1-CG2 3.77Å; L732-T749 HydrophobicContact CD2-CG2 3.91Å; G745-T749 PolarHBondContact O-N 3.15Å; G745-T749 PolarHBondContact O-OG1 3.12Å; Y746-T749 PolarHBondContact O-N 3.33Å; T749-E752 PolarHBondContact O-N 3.31Å; T749-L753 HydrophobicContact CG2-CD1 4.2Å; T749-L753 HydrophobicContact CG2-CG 4.47Å; T749-L753 WeakPolarHBondContact O-CB 3.46Å; T749-L753 VanDerWaalsContact O-CG 3.29Å; T749-L753 WeakPolarHBondContact O-CG 3.5Å; T749-L753 PolarHBondContact O-N 3.26Å
750K85.8Confident76.1Confident30 Ų3071 Ų7113%0.1338%0.378CS..Hα-helixtrans-68.6-39.7174.3-170.6155.7-176.2165.30111.9V713 L729 L732 E733 Y746 L748 E752 L754V713-K750 HydrophobicContact CG1-CG 4.05Å; L729-K750 HydrophobicContact CD2-CB 4.47Å; L729-K750 HydrophobicContact CD2-CD 4.03Å; L729-K750 HydrophobicContact CD2-CG 3.73Å; L732-K750 HydrophobicContact CD2-CB 3.99Å; E733-K750 IonicContact OE1-NZ 2.91Å; E733-K750 PolarHBondContact OE1-NZ 3.49Å; Y746-K750 HydrophobicContact CE1-CD 3.83Å; Y746-K750 HydrophobicContact CE2-CD 4.19Å; Y746-K750 WeakPolarHBondContact O-CB 3.4Å; Y746-K750 PolarHBondContact O-N 3.4Å; Y746-K750 WeakPolarHBondContact OH-CD 3.21Å; Y746-K750 PolarHBondContact OH-NZ 3.15Å; L748-K750 VanDerWaalsContact C-N 3.33Å; L748-K750 PolarHBondContact O-N 2.87Å; K750-E752 VanDerWaalsContact C-N 3.34Å; K750-L754 HydrophobicContact CG-CD1 4.07Å; K750-L754 WeakPolarHBondContact O-CB 3.42Å; K750-L754 VanDerWaalsContact O-CG 3.23Å; K750-L754 WeakPolarHBondContact O-CG 3.45Å; K750-L754 PolarHBondContact O-N 2.83Å; K750-L754 VanDerWaalsContact O-N 3.1Å
751A81.2Confident75.3Confident18 Ų1867 Ų6715%0.14936%0.362CS..Hα-helixtrans-64.5-37.9171.400000112.2I711 V713 N747 L748 K755I711-A751 HydrophobicContact CG2-CB 4.13Å; V713-A751 HydrophobicContact CG2-CB 4.34Å; N747-A751 VanDerWaalsContact O-CB 3.22Å; N747-A751 WeakPolarHBondContact O-CB 3.48Å; N747-A751 PolarHBondContact O-N 3.24Å; L748-A751 PolarHBondContact O-N 2.98Å; A751-K755 WeakPolarHBondContact O-CB 3.29Å; A751-K755 PolarHBondContact O-N 2.92Å
752E84.9Confident73.6Confident110 Ų11071.7 Ų71.751%0.51439%0.388SS..Hα-helixtrans-71.5-42.8178.9-164.1111-105.800112.4L748 T749 K750 L754 K755L748-E752 WeakPolarHBondContact O-CB 3.36Å; L748-E752 PolarHBondContact O-N 2.84Å; T749-E752 PolarHBondContact O-N 3.31Å; K750-E752 VanDerWaalsContact C-N 3.34Å; E752-L754 VanDerWaalsContact C-N 3.31Å; E752-L754 PolarHBondContact O-N 2.76Å; E752-K755 WeakPolarHBondContact O-CB 3.47Å; E752-K755 PolarHBondContact O-N 2.89Å; E752-K755 IonicContact OE1-NZ 3.93Å; E752-K755 PolarHBondContact OE1-NZ 3.33Å
753L83.8Confident71.9Confident40 Ų4073.3 Ų73.321%0.20939%0.391CS..Hα-helixtrans-62.1-36173.3-76.7168.8000112.4E728 L729 L732 T749 P756 Y757E728-L753 WeakPolarHBondContact OE2-CD2 3.42Å; L729-L753 HydrophobicContact CD2-CD1 4.13Å; L732-L753 HydrophobicContact CD2-CD1 4Å; T749-L753 HydrophobicContact CG2-CD1 4.2Å; T749-L753 HydrophobicContact CG2-CG 4.47Å; T749-L753 WeakPolarHBondContact O-CB 3.46Å; T749-L753 VanDerWaalsContact O-CG 3.29Å; T749-L753 WeakPolarHBondContact O-CG 3.5Å; T749-L753 PolarHBondContact O-N 3.26Å; L753-P756 WeakPolarHBondContact O-CD 3.33Å; L753-Y757 WeakPolarHBondContact O-CD2 3.3Å
754L80.3Confident69.6Low7 Ų773.6 Ų73.64%0.03740%0.397CS..Hα-helixtrans-85.9-10.3178.3-64.7174.8000113.5V713 P714 V716 L721 L729 K750 E752 Y757 H758V713-L754 HydrophobicContact CG1-CD1 3.96Å; P714-L754 HydrophobicContact CB-CB 4.45Å; P714-L754 HydrophobicContact CG-CB 4.36Å; V716-L754 HydrophobicContact CB-CD2 4.39Å; L721-L754 HydrophobicContact CD1-CD2 3.55Å; L721-L754 HydrophobicContact CD2-CD2 4.13Å; L721-L754 HydrophobicContact CG-CD2 4.5Å; L729-L754 HydrophobicContact CD1-CD2 4.21Å; K750-L754 HydrophobicContact CG-CD1 4.07Å; K750-L754 WeakPolarHBondContact O-CB 3.42Å; K750-L754 VanDerWaalsContact O-CG 3.23Å; K750-L754 WeakPolarHBondContact O-CG 3.45Å; K750-L754 PolarHBondContact O-N 2.83Å; K750-L754 VanDerWaalsContact O-N 3.1Å; E752-L754 VanDerWaalsContact C-N 3.31Å; E752-L754 PolarHBondContact O-N 2.76Å; L754-Y757 CarbonylContact O-C 3.59Å; L754-Y757 WeakPolarHBondContact O-CA 3.43Å; L754-Y757 PolarHBondContact O-N 2.86Å; L754-H758 PolarHBondContact O-N 2.85Å; L754-H758 VanDerWaalsContact O-N 3.16Å
755K79.1Confident67.5Low131 Ų13173.3 Ų73.357%0.5741%0.408SS*.G310 helixtrans-56.2-42.3-179-159.5177.8-175.9-177.10114A751 E752 Y757 H758A751-K755 WeakPolarHBondContact O-CB 3.29Å; A751-K755 PolarHBondContact O-N 2.92Å; E752-K755 WeakPolarHBondContact O-CB 3.47Å; E752-K755 PolarHBondContact O-N 2.89Å; E752-K755 IonicContact OE1-NZ 3.93Å; E752-K755 PolarHBondContact OE1-NZ 3.33Å; K755-Y757 PolarHBondContact O-N 2.63Å; K755-H758 WeakPolarHBondContact O-CB 3.47Å; K755-H758 PolarHBondContact O-N 2.02Å
756P77.2Confident65.3Low90 Ų9080.1 Ų80.158%0.58443%0.434SS*.G310 helixtrans-69.9-21.5175.5-1632.3000112.8L753L753-P756 WeakPolarHBondContact O-CD 3.33Å
757Y73Confident62.9Low62 Ų6284.1 Ų84.124%0.24346%0.463CS..G310 helixtrans-98.55.8-176.1-55.6-67.7000112.9L721 P722 V725 L753 L754 K755 S759 L760L721-Y757 HydrophobicContact CD2-CD1 4.25Å; L721-Y757 HydrophobicContact CD2-CD2 3.95Å; L721-Y757 HydrophobicContact CD2-CG 3.74Å; P722-Y757 HydrophobicContact CG-CE1 4.15Å; V725-Y757 HydrophobicContact CG1-CE2 4.13Å; V725-Y757 HydrophobicContact CG2-CE2 3.79Å; L753-Y757 WeakPolarHBondContact O-CD2 3.3Å; L754-Y757 CarbonylContact O-C 3.59Å; L754-Y757 WeakPolarHBondContact O-CA 3.43Å; L754-Y757 PolarHBondContact O-N 2.86Å; K755-Y757 PolarHBondContact O-N 2.63Å; Y757-S759 PolarHBondContact O-N 2.99Å; Y757-L760 HydrophobicContact CD1-CD1 3.88Å; Y757-L760 WeakPolarHBondContact O-CB 3.31Å; Y757-L760 PolarHBondContact O-N 3.06Å
758H61.8Low60.2Low103 Ų10385.5 Ų85.548%0.47749%0.491SS..G310 helixtrans-57.1-35.2177.9-170.4-54.8000112.4L754 K755 L760 A761L754-H758 PolarHBondContact O-N 2.85Å; L754-H758 VanDerWaalsContact O-N 3.16Å; K755-H758 WeakPolarHBondContact O-CB 3.47Å; K755-H758 PolarHBondContact O-N 2.02Å; H758-L760 PolarHBondContact O-N 2.82Å; H758-A761 WeakPolarHBondContact O-CB 3.33Å; H758-A761 PolarHBondContact O-N 2.94Å; H758-A761 VanDerWaalsContact O-N 3.13Å
759S56.2Low57.4Low79 Ų7984.8 Ų84.855%0.55251%0.505SS*.G310 helixtrans-71-11.1176.652.20000114.4Y757 A761Y757-S759 PolarHBondContact O-N 2.99Å; S759-A761 VanDerWaalsContact C-N 3.34Å
760L57.4Low54.7Low77 Ų7789 Ų8940%0.40353%0.53SS..G310 helixtrans-82.5-12.6170.6-62.2176.8000112.5Y757 H758Y757-L760 HydrophobicContact CD1-CD1 3.88Å; Y757-L760 WeakPolarHBondContact O-CB 3.31Å; Y757-L760 PolarHBondContact O-N 3.06Å; H758-L760 PolarHBondContact O-N 2.82Å
761A47.5Very low51.9Low42 Ų4295.2 Ų95.235%0.34756%0.56SS.*THydrogen-bonded Turntrans-74.7-29.717400000112.3H758 S759 I763H758-A761 WeakPolarHBondContact O-CB 3.33Å; H758-A761 PolarHBondContact O-N 2.94Å; H758-A761 VanDerWaalsContact O-N 3.13Å; S759-A761 VanDerWaalsContact C-N 3.34Å; A761-I763 PolarHBondContact O-N 2.97Å
762D40.6Very low49.5Very low132 Ų132100.3 Ų100.371%0.70658%0.584SS**THydrogen-bonded Turntrans-77.51.6179.6-65.8-50.5000113.8
763I42.9Very low46.7Very low135 Ų135104.8 Ų104.869%0.69260%0.602SS**  trans-120.174.9-179.2-49.2-179.3000110.9A761A761-I763 PolarHBondContact O-N 2.97Å
764S30.3Very low43.9Very low100 Ų100106.9 Ų106.970%0.69963%0.625SS**  trans-150.1145.5156.566.70000111.7
765V29Very low41.3Very low138 Ų138111.6 Ų111.684%0.83666%0.659SS**  trans70.1130.8-170.3177.60000113.7
766Q28.8Very low38.8Very low161 Ų161115.6 Ų115.675%0.75268%0.676SS**  cis-168.7170-20-97.8-51.312.700106.1
767P34.9Very low36.3Very low110 Ų110115.1 Ų115.171%0.71469%0.688SS**  cis-135.8148.8-27.235.2-17.8000115.5
768G24.2Very low34.2Very low85 Ų85119.2 Ų119.288%0.87671%0.713SS**  trans81.2142.2147.600000119.7
769G23.4Very low32.6Very low74 Ų74121.9 Ų121.976%0.76373%0.726SS**  trans172.213.4176.500000124
770V26.2Very low31.3Very low145 Ų145126.3 Ų126.388%0.87974%0.738SS**  trans66.8138.7163.3-170.20000120
771Q27.3Very low30.1Very low161 Ų161128.6 Ų128.675%0.75275%0.75SS**  trans-47.6170.7166.4-66.4178-89.400116.7
772D31.1Very low29.3Very low124 Ų124131.9 Ų131.966%0.66376%0.762SS**  cis-169.8137.2-16.1-100.5-31.5000107.2
773K26.1Very low28.8Very low205 Ų205132.6 Ų132.689%0.89176%0.761SS**  trans171.4128.3144.2-100.9161.8-172.9174.40116.8
774A25.5Very low28.1Very low84 Ų84132.2 Ų132.269%0.69476%0.758SS**  58.2127.4121.700000124
775S25.4Very low28.2Very low106 Ų106135 Ų13574%0.74176%0.757SS**  trans83.1124.6131.9-650000123
776K26.4Very low28.1Very low214 Ų214134.3 Ų134.393%0.9375%0.749SS**  trans52.8133.4137.6-63.9-175.3174.9-173.50120.9
777G24Very low28.1Very low80 Ų80132.3 Ų132.383%0.82574%0.743SS**  trans172.5130.1153.600000113.5
778L28.7Very low27.8Very low148 Ų148134 Ų13478%0.77574%0.742SS**  trans-89.4160.6170.3-75.4150.9000110.4
779E27.7Very low28Very low159 Ų159136.8 Ų136.874%0.74374%0.737SS**  trans61.8146.2144.5-76.3152.2-150.100119.1
780E30.4Very low28.1Very low172 Ų172138.1 Ų138.180%0.80473%0.734SS**  cis-158.1161.1-14.1-142.3179.4-163.700111.1
781D30.7Very low28.2Very low125 Ų125137.8 Ų137.867%0.66873%0.728SS**  trans74.4127.8141.9-143.430.4000126.6
782N31.3Very low28.2Very low111 Ų111137.9 Ų137.959%0.59473%0.728SS**  trans72.9133.1138.2-94.3-34.4000129.4
783Q29.6Very low27.9Very low147 Ų147141.5 Ų141.569%0.68774%0.738SS**  trans71.1153141.7-68.4-179.949.500122.7
784M29.8Very low27.9Very low127 Ų127139.6 Ų139.663%0.62673%0.734SS**  cis-174.5143.9-24.7174.4165.158.100113.9
785K30.7Very low28.8Very low159 Ų159140.6 Ų140.669%0.69173%0.733SS**  trans80.1133.2151-87.1170.1-172.9165.20126.2
786N27.7Very low29Very low123 Ų123143.8 Ų143.866%0.65873%0.734SS**  92.5124126.4-8010.1000126.1
787N29.7Very low29Very low119 Ų119140.9 Ų140.964%0.63672%0.724SS**  trans63.6156.7131.4-68.114.1000121.5
788Q28.9Very low29.1Very low146 Ų146141.5 Ų141.568%0.68272%0.715SS**  cis-166.9153.9-10-115.9171.3-23.800110.7
789N27.7Very low28.9Very low144 Ų144144.2 Ų144.277%0.7772%0.721SS**  trans55.2161.1147.7-67.810.9000121
790S25.9Very low29.2Very low102 Ų102142.4 Ų142.471%0.71372%0.723SS**  cis-170147.4-18.950.90000113.3
791D27.8Very low29.1Very low138 Ų138140.5 Ų140.574%0.73872%0.723SS**  trans80.1137.2141.1-110.95.3000127.4
792Q26.7Very low29.4Very low162 Ų162140 Ų14076%0.75773%0.727SS**  trans78.7173.4149.2-67.8177.65500123.2
793K26.2Very low29.6Very low200 Ų200140.6 Ų140.687%0.8774%0.737SS**  trans-150179.5-141.4-64.2161.4-176.1167.40111
794M24.6Very low29.6Very low165 Ų165141.6 Ų141.681%0.81375%0.746SS**  cis-158.7-155.35.3-135.5-145-176.300107.3
795P45.8Very low29.3Very low105 Ų105144 Ų14468%0.68276%0.758SS**  cis-136.2-179.7-5.744.2-25.6000118
796K29.5Very low29.1Very low174 Ų174141.5 Ų141.576%0.75776%0.758SS**  trans29.6130.3146.9-72.3-172.1176.6-173.30124.4
797E25Very low29Very low153 Ų153142.4 Ų142.472%0.71577%0.768SS**  -157.4-167.793.2-115.9-44.1108.600114.4
798S26.2Very low28.8Very low92 Ų92144.3 Ų144.364%0.64377%0.772SS**  trans-144.9165-15770.20000117.6
799K25.4Very low28.6Very low206 Ų206145 Ų14590%0.89678%0.779SS**  trans-167167.5155.6-105.8166.6-173.9179.40111.2
800P33.3Very low28.5Very low120 Ų120144.3 Ų144.378%0.77978%0.775SS**  trans-111.2162.9-142.842-40.3000119.7
801T28.8Very low28.4Very low132 Ų132143.9 Ų143.981%0.8177%0.772SS**  trans-82.5-176.5158.229.70000111.7
802P37.2Very low28.3Very low116 Ų116146.5 Ų146.575%0.75378%0.777SS**  cis-123.3-160.45.145.5-28.2000111.8
803P34.9Very low28.2Very low123 Ų123147 Ų14780%0.79978%0.783SS**  cis-134.1-177.83.443.8-25.5000117.4
804L29.3Very low28.1Very low167 Ų167146.2 Ų146.287%0.87478%0.78SS**  trans-78.3163.1176.8-66.9137.1000113.4
805M24.1Very low28.1Very low178 Ų178143.1 Ų143.188%0.87777%0.774SS**  trans-127.7143.1149.8-84.4-15870.200111.2
806P27.3Very low27Very low107 Ų107145.4 Ų145.470%0.69578%0.78SS**  trans-93168.5179.638.1-35.8000112.6
807V25.5Very low26.8Very low142 Ų142145.1 Ų145.186%0.86179%0.786SS**  trans-116.1123.7159.8178.80000108.6
808H24.1Very low26.9Very low158 Ų158143.2 Ų143.273%0.73179%0.79SS**  trans-121.8130.5175-147.7-50.4000106.8
809I25.4Very low26.8Very low161 Ų161143.7 Ų143.783%0.82679%0.791SS**  trans-125.3130.1161.6-61.5177.6000106.7
810D25Very low26.6Very low129 Ų129140.7 Ų140.769%0.6978%0.78SS**  trans-147.4175.5-178.6-173.614.2000107.4
811S25Very low26.1Very low93 Ų93144.3 Ų144.365%0.6578%0.778SS**  trans78.9103.1174.475.40000117.8
812K24.8Very low25.7Very low193 Ų193147.5 Ų147.584%0.83978%0.781SS**  31.9116.8118.2-64.4163.1-179.9155.40117.6
813I25.9Very low25.3Very low174 Ų174146.9 Ų146.989%0.89278%0.777SS**  trans-96.1147.6134.5-67.3178.9000108.2
814K23.9Very low24.6Very low183 Ų183147.8 Ų147.880%0.79677%0.774SS**  trans-143.9136.6-174.2-171.2-171.3-176.2-169.20109.5
815S23.4Very low24.3Very low100 Ų100146.5 Ų146.570%0.69977%0.768SS**  trans67.5160.5177.485.20000114.8
816L23.5Very low24.6Very low153 Ų153143.7 Ų143.780%0.80176%0.763SS**  cis-125.11460.3-61.589.6000110.8
817L24.8Very low24.3Very low167 Ų167144.1 Ų144.187%0.87476%0.763SS**  178.9107120.2-99.2166.8000111.3
818S26.2Very low24.3Very low114 Ų114143.9 Ų143.980%0.79776%0.756SS**  trans-145.8124154.352.30000108.8
819P25.8Very low24.2Very low102 Ų102144.6 Ų144.666%0.66276%0.76SS**  -108.5141128.5-9.428.8000108.6
820E20.5Very low24.1Very low142 Ų142146.6 Ų146.666%0.66476%0.757SS**  62.312667.4-63.6-152.4122.100113
821R21.7Very low24Very low196 Ų196144.4 Ų144.474%0.7475%0.75SS**  cis-154.7158.89-107.6158.5-161168.615.2112.8
822F21.4Very low23.9Very low199 Ų199142.7 Ų142.787%0.87373%0.731SS**  trans-30.6168.6147.9-67.1-85000116.8
823P28.1Very low23.9Very low103 Ų103137.7 Ų137.767%0.66972%0.716SS**  cis-142-168.617.836-12.8000117.1
824L21.8Very low23.8Very low143 Ų143133.1 Ų133.175%0.74970%0.7SS**  trans85.9114.1157-62.7166.8000120
825N22.4Very low23.9Very low139 Ų139127 Ų12774%0.74367%0.673SS**  39151106.7-61.58.3000119.1
826P29.1Very low24.2Very low119 Ų119128.9 Ų128.977%0.77368%0.675SS**  cis-148.6-158.933.529.1-1.3000116.4
827V22.9Very low24.4Very low116 Ų116127.3 Ų127.370%0.70366%0.663SS**  trans102.896.4150-169.30000120
828I24.5Very low24.4Very low138 Ų138123.8 Ų123.871%0.70865%0.653SS**  41.7106126.9-47.7170.3000119R830I828-R830 HydrophobicContact CG2-CG 4.29Å
829E21.6Very low24.4Very low173 Ų173123.4 Ų123.481%0.80864%0.642SS**  -94.5148.4116.1-62.1-172.6132.600107.4
830R23.9Very low24.4Very low203 Ų203123.6 Ų123.677%0.76664%0.641SS**  cis134.2150.8-4.4-101.3-160.3172-1620.1107.3F191 I828F191-R830 WeakPolarHBondContact CD1-O 3.43Å; F191-R830 WeakPolarHBondContact CE1-O 3.42Å; I828-R830 HydrophobicContact CG2-CG 4.29Å
831P23.7Very low24.6Very low83 Ų83120.6 Ų120.654%0.53964%0.635SS.*  trans-104.6157.8-176.734.1-23000114.3F191F191-P831 CarbonylContact O-C 3.55Å; F191-P831 WeakPolarHBondContact O-CA 3.33Å; F191-P831 WeakPolarHBondContact O-CB 3.38Å
832K22.4Very low24.7Very low57 Ų57116.2 Ų116.225%0.24862%0.623CS.*  trans-135.9119.7172.5-85.7-139.9-179.7-1650108.4F191 H192 P236 A325 S329F191-K832 HydrophobicContact CB-CB 4.14Å; F191-K832 HydrophobicContact CD1-CB 3.86Å; F191-K832 HydrophobicContact CD1-CG 3.94Å; F191-K832 HydrophobicContact CE1-CG 4.34Å; F191-K832 HydrophobicContact CG-CB 4.27Å; F191-K832 PolarHBondContact O-N 3.22Å; H192-K832 PolarHBondContact CD2-O 3Å; P236-K832 HydrophobicContact CB-CD 3.88Å; P236-K832 HydrophobicContact CB-CG 4.32Å; P236-K832 HydrophobicContact CG-CD 3.89Å; A325-K832 HydrophobicContact CB-CD 4.08Å; A325-K832 PolarHBondContact O-NZ 3.29Å; S329-K832 PolarHBondContact OG-NZ 2.91Å
833T23.8Very low24.9Very low88 Ų88112.7 Ų112.754%0.5461%0.607SS.*  trans-98.9135.9178.4-22.50000111H192H192-T833 PolarHBondContact CE1-OG1 3.48Å; H192-T833 VanDerWaalsContact NE2-CA 3.33Å; H192-T833 WeakPolarHBondContact NE2-CA 3.48Å; H192-T833 VanDerWaalsContact NE2-CB 3.28Å; H192-T833 WeakPolarHBondContact NE2-CB 3.49Å; H192-T833 VanDerWaalsContact NE2-CG2 3.32Å; H192-T833 WeakPolarHBondContact NE2-CG2 3.34Å; H192-T833 PolarHBondContact NE2-N 2.87Å; H192-T833 PolarHBondContact NE2-OG1 3.01Å
834S24.6Very low24.5Very low78 Ų78112.1 Ų112.155%0.54561%0.606SS.*  trans41.6105.4142.862.50000118.8D322 L836D322-S834 WeakPolarHBondContact OD2-CA 3.29Å; S834-L836 PolarHBondContact O-N 2.92Å
835K25Very low24.6Very low53 Ų53111.9 Ų111.923%0.2360%0.601CS.*  2.8106.7108.8-109.8173.1-178.8-178.60117.3W321 D322 T324W321-K835 PolarHBondContact O-NZ 2.87Å; D322-K835 WeakPolarHBondContact OD1-CG 3.48Å; D322-K835 PolarHBondContact OD2-N 2.77Å; T324-K835 HydrophobicContact CG2-CG 4.15Å; T324-K835 WeakPolarHBondContact OG1-CA 3.26Å; T324-K835 PolarHBondContact OG1-N 3.43Å
836L31.2Very low24.7Very low141 Ų141112.6 Ų112.674%0.73860%0.6SS**  4.9135.3110.3-154.693.5000117.1T324 S834T324-L836 HydrophobicContact CG2-CB 3.94Å; T324-L836 HydrophobicContact CG2-CD2 4.32Å; S834-L836 PolarHBondContact O-N 2.92Å
837H26.8Very low24.5Very low119 Ų119113 Ų11355%0.55159%0.594SS**  trans-153.8144.7170.2-107.7-90.6000106.9
838S25Very low24.4Very low94 Ų94118.1 Ų118.166%0.65760%0.601SS**  cis-145.2151.73.7-58.40000108.2
839N25.5Very low24.4Very low106 Ų106115.4 Ų115.457%0.56761%0.607SS**  60.9139.770.1-109.917.4000113.1Y212Y212-N839 PolarHBondContact OH-ND2 2.75Å
840V26.2Very low24.4Very low106 Ų106116.3 Ų116.364%0.64261%0.611SS**  cis-173.7163.39.671.30000113.9
841S24.7Very low24.9Very low78 Ų78111.4 Ų111.455%0.54561%0.605SS.*  trans73.2148.6147.6-173.10000119.7
842Q25.2Very low25.4Very low105 Ų105112.8 Ų112.849%0.49162%0.615SS.*  cis-159.9-178.6-12.8-105165.817.800106.5
843K23.6Very low25.6Very low124 Ų124114.5 Ų114.554%0.53964%0.639SS.*  cis-145.6-154.15.2-140.6177.6179.3-71.70106.8E845K843-E845 IonicContact NZ-OE1 3.63Å; K843-E845 PolarHBondContact NZ-OE1 3.17Å; K843-E845 IonicContact NZ-OE2 3.56Å; K843-E845 PolarHBondContact NZ-OE2 2.8Å
844S21.7Very low25.5Very low92 Ų92116.8 Ų116.864%0.64365%0.653SS**  cis-164158.4-6.430.10000112.5
845E23.3Very low25.5Very low138 Ų138116.7 Ų116.765%0.64566%0.664SS**  trans-5.1146.6150.6-57.787.8-89.800119.8K843K843-E845 IonicContact NZ-OE1 3.63Å; K843-E845 PolarHBondContact NZ-OE1 3.17Å; K843-E845 IonicContact NZ-OE2 3.56Å; K843-E845 PolarHBondContact NZ-OE2 2.8Å
846E24.4Very low25.5Very low153 Ų153125.7 Ų125.772%0.71570%0.696SS**  cis-159.9-165.4-14-139.3-149.2129.900107.1
847I23.9Very low25.1Very low128 Ų128129.3 Ų129.366%0.65671%0.706SS**  cis-156.1146.920.5-170.4150.2000113.2
848R22.3Very low25Very low224 Ų224131 Ų13185%0.84572%0.719SS**  trans17.5132.9158.5-63169.4-173.4-167.6-1.6124
849G22.6Very low24.9Very low81 Ų81135.6 Ų135.684%0.83573%0.73SS**  trans178.7112.5148.400000114.6
850E21.9Very low24.8Very low191 Ų191138 Ų13889%0.89374%0.737SS**  trans-150.1174.3-174.1-128.4-162.3-160.900109.5
851P36.1Very low24.6Very low100 Ų100143.2 Ų143.265%0.64975%0.752SS**  cis-136.2-145.3-9.345-25.3000111.3
852P34.2Very low24.6Very low113 Ų113144.6 Ų144.673%0.73476%0.757SS**  cis-125.9168.6-33.931.1-12.5000115.2
853A24.9Very low24.8Very low92 Ų92143.3 Ų143.376%0.7676%0.759SS**  trans11.5159.7144.500000122.6
854V23.3Very low25.3Very low137 Ų137139.7 Ų139.783%0.8375%0.749SS**  cis-153.9144.137.1178.60000111.3
855G24.1Very low26.1Very low75 Ų75136.9 Ų136.977%0.77373%0.727SS**  trans-147.7137.816800000112.3
856R24.4Very low27.3Very low242 Ų242136.2 Ų136.291%0.91372%0.719SS**PPolyproline II helixtrans-90.1133-173.6-66.2174.8178.6156.4-0.6111.6L858R856-L858 PolarHBondContact O-N 3.24Å
857K23.5Very low28.4Very low217 Ų217129.4 Ų129.494%0.94369%0.69SS**PPolyproline II helixtrans-68.5119.7167.5-77.6-175175.4-1800109.9
858L23.7Very low30.2Very low155 Ų155124.1 Ų124.181%0.81266%0.662SS**PPolyproline II helixtrans-91151.5159.8-91.9158.4000109.5R856R856-L858 PolarHBondContact O-N 3.24Å
859Q23.6Very low32.5Very low191 Ų191113.8 Ų113.889%0.89362%0.624SS**PPolyproline II helixtrans-80.3120.6178.7-69169.8-35.500109.2
860H23.3Very low34.6Very low155 Ų155111.6 Ų111.672%0.71860%0.595SS**PPolyproline II helixtrans-76.5129.3176.7-65.2-50.3000111V862H860-V862 PolarHBondContact O-N 3.19Å
861F22.8Very low36.9Very low217 Ų217103 Ų10395%0.95255%0.554SS**  trans-69.4107.8155.3-102.2-98.2000108
862V24.6Very low38.4Very low107 Ų10799.4 Ų99.465%0.64853%0.529SS*.  trans-80.1116.2169.7175.50000107.4H860 S864H860-V862 PolarHBondContact O-N 3.19Å; V862-S864 PolarHBondContact O-N 3.01Å; V862-S864 PolarHBondContact O-OG 2.9Å
863S29.3Very low39.7Very low77 Ų7795.9 Ų95.954%0.53850%0.501SS..  trans-56.5126.1167.1-165.20000108
864S33.9Very low41.3Very low49 Ų4993.3 Ų93.334%0.34347%0.471SS..  trans-108.714.8-161.9-64.40000113.1V862 R866V862-S864 PolarHBondContact O-N 3.01Å; V862-S864 PolarHBondContact O-OG 2.9Å; S864-R866 PolarHBondContact O-N 2.89Å
865D38.8Very low43.3Very low33 Ų3390.5 Ų90.518%0.17645%0.448CS..  trans-75.566.3-176.6-70.4-15.9000111.9G867D865-G867 PolarHBondContact O-N 2.97Å
866R48.5Very low45.5Very low123 Ų12390.2 Ų90.246%0.46442%0.424SS..  trans-73.5118.9166.6-51.6-179.1-174.2-174.20.9108.7S864 R873S864-R866 PolarHBondContact O-N 2.89Å; R866-R873 WeakPolarHBondContact CD-O 3.32Å; R866-R873 PolarHBondContact NH1-O 3.08Å
867G47.7Very low47.9Very low11 Ų1179.1 Ų79.111%0.11338%0.382CS..  trans59.6125.4141.600000119D865 E872 R873D865-G867 PolarHBondContact O-N 2.97Å; G867-E872 WeakPolarHBondContact CA-OE2 3.23Å; G867-R873 WeakPolarHBondContact O-CG 3.34Å; G867-R873 PolarHBondContact O-NE 2.85Å; G867-R873 VanDerWaalsContact O-NE 3.08Å
868F59.9Low50.1Low17 Ų1770.1 Ų70.18%0.07534%0.344CS..SBendtrans-66.8-45.2164.5173.1-127.8000110.5T95 N423 D424 E872 R873T95-F868 WeakPolarHBondContact OG1-CE1 3.22Å; N423-F868 HydrophobicContact CB-CD2 4.25Å; N423-F868 HydrophobicContact CB-CE2 3.64Å; N423-F868 HydrophobicContact CB-CZ 4.05Å; N423-F868 WeakPolarHBondContact ND2-CD2 3.39Å; N423-F868 WeakPolarHBondContact ND2-CE2 3.27Å; D424-F868 WeakPolarHBondContact OD1-CE2 3.39Å; D424-F868 WeakPolarHBondContact OD1-CZ 3.48Å; F868-E872 PolarHBondContact N-OE2 3.43Å; F868-R873 PolarHBondContact O-NE 3.25Å; F868-R873 PolarHBondContact O-NH2 2.76Å
869L72Confident52.2Low6 Ų666.4 Ų66.43%0.03134%0.335CS..SBendtrans-88.6150.9-165.7-59.6165.4000112.8V97 W871 E872 R873V97-L869 HydrophobicContact CG2-CD2 4Å; L869-W871 VanDerWaalsContact C-N 3.25Å; L869-W871 HydrophobicContact CB-CD2 4.12Å; L869-W871 HydrophobicContact CB-CE3 4.47Å; L869-W871 HydrophobicContact CB-CH2 4.1Å; L869-W871 HydrophobicContact CB-CZ2 3.7Å; L869-W871 HydrophobicContact CB-CZ3 4.43Å; L869-W871 HydrophobicContact CD1-CH2 4.35Å; L869-W871 HydrophobicContact CD1-CZ2 3.61Å; L869-W871 HydrophobicContact CD2-CH2 4.36Å; L869-W871 HydrophobicContact CD2-CZ2 4.39Å; L869-W871 HydrophobicContact CG-CH2 4.5Å; L869-W871 HydrophobicContact CG-CZ2 4.08Å; L869-W871 PolarHBondContact O-N 3.37Å; L869-E872 HydrophobicContact CB-CG 4.01Å; L869-E872 PolarHBondContact N-OE2 3.37Å; L869-E872 WeakPolarHBondContact O-CB 3.35Å; L869-E872 PolarHBondContact O-N 3.47Å; L869-R873 PolarHBondContact O-N 3.44Å; L869-R873 VanDerWaalsContact O-N 3.14Å
870P65.5Low54.5Low36 Ų3658.2 Ų58.223%0.23430%0.298CS..Hα-helixtrans-58.4-26.3-169.6-28.935.7000116.6R874P870-R874 WeakPolarHBondContact O-CG 3.41Å; P870-R874 PolarHBondContact O-NE 3.13Å
871W70.7Confident56.7Low9 Ų952.1 Ų52.13%0.03427%0.27CS..Hα-helixtrans-83.8-29.8175.549.589.7000113.1V97 L104 L108 F400 L869 R874 K875 Y876 F877V97-W871 HydrophobicContact CB-CH2 4.46Å; V97-W871 HydrophobicContact CG1-CH2 3.92Å; V97-W871 HydrophobicContact CG1-CZ3 3.89Å; V97-W871 HydrophobicContact CG2-CH2 4.33Å; L104-W871 HydrophobicContact CD1-CH2 4.38Å; L104-W871 HydrophobicContact CD1-CZ3 4.47Å; L104-W871 HydrophobicContact CD2-CZ3 4.01Å; L108-W871 HydrophobicContact CD1-CD2 4.28Å; L108-W871 HydrophobicContact CD1-CE3 3.83Å; L108-W871 HydrophobicContact CD1-CZ3 4.22Å; L108-W871 HydrophobicContact CD2-CD2 3.89Å; L108-W871 HydrophobicContact CD2-CE3 4.24Å; L108-W871 HydrophobicContact CD2-CG 4.1Å; F400-W871 HydrophobicContact CB-CZ2 3.6Å; F400-W871 HydrophobicContact CD1-CH2 4.15Å; F400-W871 AromaticContact CD1-CZ2 3.81Å; F400-W871 HydrophobicContact CD1-CZ2 3.81Å; F400-W871 HydrophobicContact CG-CZ2 4.11Å; F400-W871 PolarHBondContact O-NE1 2.81Å; L869-W871 VanDerWaalsContact C-N 3.25Å; L869-W871 HydrophobicContact CB-CD2 4.12Å; L869-W871 HydrophobicContact CB-CE3 4.47Å; L869-W871 HydrophobicContact CB-CH2 4.1Å; L869-W871 HydrophobicContact CB-CZ2 3.7Å; L869-W871 HydrophobicContact CB-CZ3 4.43Å; L869-W871 HydrophobicContact CD1-CH2 4.35Å; L869-W871 HydrophobicContact CD1-CZ2 3.61Å; L869-W871 HydrophobicContact CD2-CH2 4.36Å; L869-W871 HydrophobicContact CD2-CZ2 4.39Å; L869-W871 HydrophobicContact CG-CH2 4.5Å; L869-W871 HydrophobicContact CG-CZ2 4.08Å; L869-W871 PolarHBondContact O-N 3.37Å; W871-R874 CarbonylContact O-C 3.56Å; W871-R874 PolarHBondContact O-N 2.65Å; W871-K875 PolarHBondContact O-N 2.89Å; W871-K875 VanDerWaalsContact O-N 3.13Å; W871-Y876 HydrophobicContact CB-CG 4.45Å; W871-Y876 WeakPolarHBondContact O-CB 3.42Å; W871-Y876 PolarHBondContact O-N 3.23Å; W871-F877 AromaticContact CD1-CE2 3.85Å; W871-F877 HydrophobicContact CG-CE2 4.33Å
872E68.8Low58.8Low26 Ų2644.6 Ų44.612%0.12124%0.238CC..Hα-helixtrans-68.3-46175.2-57.2174.2156.900110G867 F868 L869 R874 K875 R963G867-E872 WeakPolarHBondContact CA-OE2 3.23Å; F868-E872 PolarHBondContact N-OE2 3.43Å; L869-E872 HydrophobicContact CB-CG 4.01Å; L869-E872 PolarHBondContact N-OE2 3.37Å; L869-E872 WeakPolarHBondContact O-CB 3.35Å; L869-E872 PolarHBondContact O-N 3.47Å; E872-R874 PolarHBondContact O-N 3.01Å; E872-R874 VanDerWaalsContact O-N 3.15Å; E872-K875 PolarHBondContact O-N 3.09Å; E872-R963 VanDerWaalsContact OE1-CD 3.31Å; E872-R963 WeakPolarHBondContact OE1-CD 3.43Å; E872-R963 VanDerWaalsContact OE1-CG 3.3Å; E872-R963 WeakPolarHBondContact OE1-CG 3.44Å; E872-R963 IonicContact OE1-CZ 3.88Å; E872-R963 IonicContact OE1-NE 3.92Å; E872-R963 PolarHBondContact OE1-NE 2.91Å; E872-R963 IonicContact OE2-CZ 2.61Å; E872-R963 IonicContact OE2-NE 2.66Å; E872-R963 PolarHBondContact OE2-NE 3.01Å; E872-R963 VanDerWaalsContact OE2-NE 3.08Å; E872-R963 IonicContact OE2-NH2 2.66Å; E872-R963 PolarHBondContact OE2-NH2 3.39Å
873R61.1Low61.1Low39 Ų3941.3 Ų41.315%0.14722%0.216CC..Hα-helixtrans-55.3-32.6174-62.9-171.3-167.6-175.76.1112.5D425 R866 G867 F868 L869 N1128 D1129D425-R873 IonicContact OD2-CZ 2.7Å; D425-R873 IonicContact OD2-NH1 3.57Å; D425-R873 IonicContact OD2-NH2 3.02Å; D425-R873 PolarHBondContact OD2-NH2 2.84Å; R866-R873 WeakPolarHBondContact CD-O 3.32Å; R866-R873 PolarHBondContact NH1-O 3.08Å; G867-R873 WeakPolarHBondContact O-CG 3.34Å; G867-R873 PolarHBondContact O-NE 2.85Å; G867-R873 VanDerWaalsContact O-NE 3.08Å; F868-R873 PolarHBondContact O-NE 3.25Å; F868-R873 PolarHBondContact O-NH2 2.76Å; L869-R873 PolarHBondContact O-N 3.44Å; L869-R873 VanDerWaalsContact O-N 3.14Å; R873-N1128 PolarHBondContact NH1-OD1 2.72Å; R873-N1128 VanDerWaalsContact NH1-OD1 3.08Å; R873-D1129 WeakPolarHBondContact CD-O 3.49Å; R873-D1129 VanDerWaalsContact NH1-N 3.16Å; R873-D1129 PolarHBondContact NH1-O 3.36Å; R873-D1129 VanDerWaalsContact NH1-O 3.17Å
874R58.1Low63Low37 Ų3739.4 Ų39.414%0.1420%0.198CC..THydrogen-bonded Turntrans-89.4-2.9177-68.9179.7-128.6174.410.2115.3R339 F340 P870 W871 E872 Y876R339-R874 VanDerWaalsContact C-NH2 3.27Å; R339-R874 VanDerWaalsContact CB-CZ 3.49Å; R339-R874 VanDerWaalsContact O-CZ 3.3Å; R339-R874 PolarHBondContact O-NH2 2.82Å; F340-R874 VanDerWaalsContact CE1-NH2 3.33Å; P870-R874 WeakPolarHBondContact O-CG 3.41Å; P870-R874 PolarHBondContact O-NE 3.13Å; W871-R874 CarbonylContact O-C 3.56Å; W871-R874 PolarHBondContact O-N 2.65Å; E872-R874 PolarHBondContact O-N 3.01Å; E872-R874 VanDerWaalsContact O-N 3.15Å; R874-Y876 PolarHBondContact O-N 2.89Å
875K64.4Low64.5Low79 Ų7942.5 Ų42.534%0.34321%0.207SC..THydrogen-bonded Turntrans56.633-175.1-76.3-177.7169.4-77.60113.3W871 E872 F877 Q878W871-K875 PolarHBondContact O-N 2.89Å; W871-K875 VanDerWaalsContact O-N 3.13Å; E872-K875 PolarHBondContact O-N 3.09Å; K875-F877 VanDerWaalsContact C-N 3.31Å; K875-F877 PolarHBondContact O-N 3.45Å; K875-Q878 HydrophobicContact CB-CB 3.62Å; K875-Q878 HydrophobicContact CB-CG 4.24Å; K875-Q878 HydrophobicContact CD-CB 4.47Å; K875-Q878 HydrophobicContact CD-CG 4.16Å; K875-Q878 HydrophobicContact CG-CB 4.12Å; K875-Q878 HydrophobicContact CG-CG 4.28Å; K875-Q878 WeakPolarHBondContact O-CB 3.15Å; K875-Q878 PolarHBondContact O-N 2.94Å
876Y71.8Confident65.9Low68 Ų6845.8 Ų45.827%0.26722%0.217SC..THydrogen-bonded Turntrans-56.2-38.5-172.7-178.1-97.4000114.5K112 W871 R874K112-Y876 HydrophobicContact CB-CE1 4.24Å; K112-Y876 HydrophobicContact CD-CE1 3.78Å; K112-Y876 HydrophobicContact CG-CE1 4.47Å; W871-Y876 HydrophobicContact CB-CG 4.45Å; W871-Y876 WeakPolarHBondContact O-CB 3.42Å; W871-Y876 PolarHBondContact O-N 3.23Å; R874-Y876 PolarHBondContact O-N 2.89Å
877F74.3Confident66.9Low9 Ų940.1 Ų40.14%0.03920%0.196CC..THydrogen-bonded Turntrans-95.7-3.4176.8-63.5-78.8000113.6L108 V111 K112 L115 W871 K875 A879 L880 L881 V962L108-F877 HydrophobicContact CD2-CE2 3.81Å; L108-F877 HydrophobicContact CD2-CZ 3.83Å; V111-F877 HydrophobicContact CG1-CE1 4.36Å; K112-F877 HydrophobicContact CB-CD1 4.5Å; K112-F877 HydrophobicContact CB-CE1 3.89Å; K112-F877 HydrophobicContact CG-CE1 4.5Å; L115-F877 HydrophobicContact CD1-CD1 3.97Å; L115-F877 HydrophobicContact CD1-CE1 4.27Å; W871-F877 AromaticContact CD1-CE2 3.85Å; W871-F877 HydrophobicContact CG-CE2 4.33Å; K875-F877 VanDerWaalsContact C-N 3.31Å; K875-F877 PolarHBondContact O-N 3.45Å; F877-A879 PolarHBondContact O-N 2.83Å; F877-L880 WeakPolarHBondContact O-CA 3.43Å; F877-L880 WeakPolarHBondContact O-CB 3.38Å; F877-L880 PolarHBondContact O-N 3.32Å; F877-L881 HydrophobicContact CB-CD1 4.34Å; F877-L881 PolarHBondContact O-N 3.29Å; F877-V962 HydrophobicContact CD1-CG1 4.09Å; F877-V962 HydrophobicContact CD2-CB 4.38Å; F877-V962 HydrophobicContact CD2-CG1 3.52Å; F877-V962 HydrophobicContact CE1-CG1 4.12Å; F877-V962 HydrophobicContact CE2-CG1 3.55Å; F877-V962 HydrophobicContact CG-CG1 3.8Å; F877-V962 HydrophobicContact CZ-CG1 3.87Å
878Q70.2Confident67.7Low28 Ų2843.5 Ų43.513%0.13121%0.209CC..Hα-helixtrans-57-51.6-169.2-176.984.73200112.2K875 L880 L881 E882K875-Q878 HydrophobicContact CB-CB 3.62Å; K875-Q878 HydrophobicContact CB-CG 4.24Å; K875-Q878 HydrophobicContact CD-CB 4.47Å; K875-Q878 HydrophobicContact CD-CG 4.16Å; K875-Q878 HydrophobicContact CG-CB 4.12Å; K875-Q878 HydrophobicContact CG-CG 4.28Å; K875-Q878 WeakPolarHBondContact O-CB 3.15Å; K875-Q878 PolarHBondContact O-N 2.94Å; Q878-L880 PolarHBondContact O-N 3.29Å; Q878-L880 VanDerWaalsContact O-N 3.09Å; Q878-L881 PolarHBondContact O-N 3.48Å; Q878-L881 VanDerWaalsContact O-N 3.09Å; Q878-E882 HydrophobicContact CG-CG 4.13Å; Q878-E882 WeakPolarHBondContact CG-OE1 3.44Å; Q878-E882 PolarHBondContact NE2-OE1 3.5Å; Q878-E882 WeakPolarHBondContact O-CB 3.37Å; Q878-E882 VanDerWaalsContact O-CG 3.28Å; Q878-E882 WeakPolarHBondContact O-CG 3.19Å; Q878-E882 PolarHBondContact O-N 3.05Å
879A66.3Low67.6Low77 Ų7745.1 Ų45.164%0.63622%0.223SC*.Hα-helixtrans-64.9-14.6-179.200000113.8F877 E883F877-A879 PolarHBondContact O-N 2.83Å; A879-E883 WeakPolarHBondContact O-CB 3.41Å
880L73.3Confident67.3Low19 Ų1949 Ų4910%0.09924%0.24CC..Hα-helixtrans-84.8-50.7168.9-63.7-176.8000110.4K112 L115 E116 Q119 F877 Q878 E882 E883 E884K112-L880 HydrophobicContact CD-CD1 4.41Å; K112-L880 HydrophobicContact CG-CD1 3.65Å; L115-L880 HydrophobicContact CB-CD1 4.08Å; E116-L880 HydrophobicContact CG-CD1 3.87Å; E116-L880 HydrophobicContact CG-CD2 3.6Å; E116-L880 HydrophobicContact CG-CG 4.42Å; Q119-L880 VanDerWaalsContact NE2-C 3.3Å; Q119-L880 PolarHBondContact NE2-O 3.44Å; F877-L880 WeakPolarHBondContact O-CA 3.43Å; F877-L880 WeakPolarHBondContact O-CB 3.38Å; F877-L880 PolarHBondContact O-N 3.32Å; Q878-L880 PolarHBondContact O-N 3.29Å; Q878-L880 VanDerWaalsContact O-N 3.09Å; L880-E882 VanDerWaalsContact C-N 3.28Å; L880-E882 PolarHBondContact O-N 3.13Å; L880-E883 PolarHBondContact O-N 2.89Å; L880-E884 PolarHBondContact O-N 3.47Å
881L69.9Low67.1Low28 Ų2851.1 Ų51.115%0.14725%0.249CC..Hα-helixtrans-54.9-42.9177.7-66.7168.7000112.2F877 Q878 E883 E884 E885 V962F877-L881 HydrophobicContact CB-CD1 4.34Å; F877-L881 PolarHBondContact O-N 3.29Å; Q878-L881 PolarHBondContact O-N 3.48Å; Q878-L881 VanDerWaalsContact O-N 3.09Å; L881-E883 VanDerWaalsContact C-N 3.32Å; L881-E883 PolarHBondContact O-N 2.99Å; L881-E884 PolarHBondContact O-N 3.46Å; L881-E885 WeakPolarHBondContact O-CB 3.04Å; L881-E885 PolarHBondContact O-N 3.27Å; L881-V962 HydrophobicContact CD2-CG2 3.94Å
882E66.8Low66.3Low59 Ų5954.8 Ų54.828%0.27628%0.277SS..Hα-helixtrans-66.8-29177.2-65.3-179.9171.700113.5Q878 L880 R886 L904Q878-E882 HydrophobicContact CG-CG 4.13Å; Q878-E882 WeakPolarHBondContact CG-OE1 3.44Å; Q878-E882 PolarHBondContact NE2-OE1 3.5Å; Q878-E882 WeakPolarHBondContact O-CB 3.37Å; Q878-E882 VanDerWaalsContact O-CG 3.28Å; Q878-E882 WeakPolarHBondContact O-CG 3.19Å; Q878-E882 PolarHBondContact O-N 3.05Å; L880-E882 VanDerWaalsContact C-N 3.28Å; L880-E882 PolarHBondContact O-N 3.13Å; E882-R886 PolarHBondContact O-N 3.45Å; E882-L904 HydrophobicContact CB-CD2 3.89Å; E882-L904 HydrophobicContact CG-CD2 3.66Å
883E71.1Confident65.2Low38 Ų3861.3 Ų61.318%0.17830%0.301CS..Hα-helixtrans-82.3-38.6176.4177.469.8-165.900111.2R123 A879 L880 L881 R886 L887R123-E883 IonicContact CZ-OE1 3.87Å; R123-E883 IonicContact NE-OE1 3.7Å; R123-E883 PolarHBondContact NE-OE1 3.28Å; R123-E883 IonicContact NH2-OE1 2.82Å; R123-E883 PolarHBondContact NH2-OE1 3.34Å; A879-E883 WeakPolarHBondContact O-CB 3.41Å; L880-E883 PolarHBondContact O-N 2.89Å; L881-E883 VanDerWaalsContact C-N 3.32Å; L881-E883 PolarHBondContact O-N 2.99Å; E883-R886 PolarHBondContact O-N 3.41Å; E883-R886 IonicContact OE1-CZ 3.48Å; E883-R886 IonicContact OE1-NH1 3.87Å; E883-R886 PolarHBondContact OE1-NH1 2.89Å; E883-R886 IonicContact OE1-NH2 3.97Å; E883-R886 PolarHBondContact OE1-NH2 2.84Å; E883-R886 IonicContact OE2-CZ 3.76Å; E883-R886 IonicContact OE2-NH1 2.75Å; E883-R886 PolarHBondContact OE2-NH1 2.97Å; E883-R886 IonicContact OE2-NH2 4Å; E883-L887 HydrophobicContact CG-CD1 4.14Å; E883-L887 VanDerWaalsContact O-CG 3.27Å; E883-L887 WeakPolarHBondContact O-CG 3.34Å; E883-L887 PolarHBondContact O-N 3.26Å
884E70.7Confident64.3Low37 Ų3770.3 Ų70.317%0.17334%0.335CS..Hα-helixtrans-65.1-47.8175.4-172.9178.4172.600111.2Q119 L122 L880 L881 R886 L887 Q888Q119-E884 HydrophobicContact CG-CB 4.25Å; L122-E884 HydrophobicContact CD1-CG 4.23Å; L880-E884 PolarHBondContact O-N 3.47Å; L881-E884 PolarHBondContact O-N 3.46Å; E884-R886 PolarHBondContact O-N 2.85Å; E884-L887 PolarHBondContact O-N 2.83Å; E884-Q888 HydrophobicContact CG-CG 4.23Å; E884-Q888 WeakPolarHBondContact O-CB 3.46Å; E884-Q888 WeakPolarHBondContact O-CG 3.34Å; E884-Q888 PolarHBondContact O-N 3.42Å; E884-Q888 PolarHBondContact OE1-NE2 3.47Å
885E65.9Low63.1Low113 Ų11374.6 Ų74.653%0.52837%0.366SS..Hα-helixtrans-54.4-42.6173.2-171.5-166.8179.700110.5L881 S889L881-E885 WeakPolarHBondContact O-CB 3.04Å; L881-E885 PolarHBondContact O-N 3.27Å; E885-S889 WeakPolarHBondContact O-CB 3.41Å; E885-S889 PolarHBondContact O-N 3.42Å
886R66.8Low61.6Low103 Ų10378.4 Ų78.439%0.38939%0.39SS..Hα-helixtrans-64.2-43175.9-156.9-167.877.3-116.7-20.1112.1E882 E883 E884 S889 E890E882-R886 PolarHBondContact O-N 3.45Å; E883-R886 PolarHBondContact O-N 3.41Å; E883-R886 IonicContact OE1-CZ 3.48Å; E883-R886 IonicContact OE1-NH1 3.87Å; E883-R886 PolarHBondContact OE1-NH1 2.89Å; E883-R886 IonicContact OE1-NH2 3.97Å; E883-R886 PolarHBondContact OE1-NH2 2.84Å; E883-R886 IonicContact OE2-CZ 3.76Å; E883-R886 IonicContact OE2-NH1 2.75Å; E883-R886 PolarHBondContact OE2-NH1 2.97Å; E883-R886 IonicContact OE2-NH2 4Å; E884-R886 PolarHBondContact O-N 2.85Å; R886-S889 WeakPolarHBondContact O-CB 3.33Å; R886-S889 PolarHBondContact O-N 2.82Å; R886-E890 WeakPolarHBondContact CD-OE1 3.49Å; R886-E890 WeakPolarHBondContact CG-OE1 3.32Å; R886-E890 IonicContact CZ-OE1 2.72Å; R886-E890 IonicContact NE-OE1 2.65Å; R886-E890 PolarHBondContact NE-OE1 3.18Å; R886-E890 IonicContact NE-OE2 3.97Å; R886-E890 IonicContact NH2-OE1 3.61Å; R886-E890 IonicContact NH2-OE2 3.08Å; R886-E890 WeakPolarHBondContact O-CB 3.34Å; R886-E890 VanDerWaalsContact O-CG 3.3Å; R886-E890 WeakPolarHBondContact O-CG 3.31Å; R886-E890 PolarHBondContact O-N 3Å
887L69.8Low59.8Low3 Ų380.9 Ų80.92%0.01642%0.417CS..Hα-helixtrans-68-42.1179.2-70.3167.5000112.1Q119 L122 R123 L126 E883 E884 S889 E890 L891Q119-L887 HydrophobicContact CB-CD1 3.98Å; Q119-L887 HydrophobicContact CG-CD1 4.17Å; L122-L887 HydrophobicContact CB-CB 4.38Å; L122-L887 HydrophobicContact CB-CD1 4.37Å; R123-L887 HydrophobicContact CG-CD1 3.92Å; R123-L887 HydrophobicContact CG-CD2 3.57Å; R123-L887 HydrophobicContact CG-CG 4.43Å; L126-L887 HydrophobicContact CD1-CD2 3.85Å; E883-L887 HydrophobicContact CG-CD1 4.14Å; E883-L887 VanDerWaalsContact O-CG 3.27Å; E883-L887 WeakPolarHBondContact O-CG 3.34Å; E883-L887 PolarHBondContact O-N 3.26Å; E884-L887 PolarHBondContact O-N 2.83Å; L887-S889 VanDerWaalsContact C-N 3.32Å; L887-E890 PolarHBondContact O-N 2.93Å; L887-L891 WeakPolarHBondContact O-CB 3.45Å; L887-L891 PolarHBondContact O-N 3.17Å
888Q64.9Low58.1Low83 Ų8384.3 Ų84.339%0.38846%0.455SS..Hα-helixtrans-64.6-36.5173.2-66-176.913.700111.4E884 L891 S892E884-Q888 HydrophobicContact CG-CG 4.23Å; E884-Q888 WeakPolarHBondContact O-CB 3.46Å; E884-Q888 WeakPolarHBondContact O-CG 3.34Å; E884-Q888 PolarHBondContact O-N 3.42Å; E884-Q888 PolarHBondContact OE1-NE2 3.47Å; Q888-L891 PolarHBondContact O-N 2.95Å; Q888-S892 PolarHBondContact O-N 2.81Å; Q888-S892 VanDerWaalsContact O-N 3.08Å; Q888-S892 PolarHBondContact O-OG 3.1Å
889S58.5Low56.3Low51 Ų5187.3 Ų87.336%0.35748%0.484SS..Hα-helixtrans-64.3-46.3171.8-162.90000111.6E885 R886 L887 L891 S892 Y893E885-S889 WeakPolarHBondContact O-CB 3.41Å; E885-S889 PolarHBondContact O-N 3.42Å; R886-S889 WeakPolarHBondContact O-CB 3.33Å; R886-S889 PolarHBondContact O-N 2.82Å; L887-S889 VanDerWaalsContact C-N 3.32Å; S889-L891 PolarHBondContact O-N 3.36Å; S889-S892 WeakPolarHBondContact CA-OG 3.48Å; S889-S892 PolarHBondContact O-N 3.48Å; S889-S892 PolarHBondContact O-OG 3.42Å; S889-S892 VanDerWaalsContact O-OG 3.09Å; S889-Y893 WeakPolarHBondContact O-CB 3.38Å; S889-Y893 WeakPolarHBondContact O-CD2 3.48Å; S889-Y893 PolarHBondContact O-N 2.77Å
890E64.6Low54.7Low86 Ų8690.4 Ų90.440%0.40250%0.496SS..Hα-helixtrans-62.8-28.6174.6-74.9165.5-16700112.6L126 R886 L887L126-E890 HydrophobicContact CD1-CB 4.27Å; R886-E890 WeakPolarHBondContact CD-OE1 3.49Å; R886-E890 WeakPolarHBondContact CG-OE1 3.32Å; R886-E890 IonicContact CZ-OE1 2.72Å; R886-E890 IonicContact NE-OE1 2.65Å; R886-E890 PolarHBondContact NE-OE1 3.18Å; R886-E890 IonicContact NE-OE2 3.97Å; R886-E890 IonicContact NH2-OE1 3.61Å; R886-E890 IonicContact NH2-OE2 3.08Å; R886-E890 WeakPolarHBondContact O-CB 3.34Å; R886-E890 VanDerWaalsContact O-CG 3.3Å; R886-E890 WeakPolarHBondContact O-CG 3.31Å; R886-E890 PolarHBondContact O-N 3Å; L887-E890 PolarHBondContact O-N 2.93Å
891L61.5Low53.1Low81 Ų81100.4 Ų100.442%0.42453%0.532SS..Hα-helixtrans-77.4-27.5175.9-130.6149000113.2L122 L126 L887 Q888 S889L122-L891 HydrophobicContact CD2-CD1 3.58Å; L126-L891 HydrophobicContact CD2-CB 4.2Å; L126-L891 HydrophobicContact CD2-CD1 4.4Å; L126-L891 HydrophobicContact CD2-CG 3.88Å; L126-L891 HydrophobicContact CG-CD1 4.26Å; L126-L891 HydrophobicContact CG-CG 4.29Å; L887-L891 WeakPolarHBondContact O-CB 3.45Å; L887-L891 PolarHBondContact O-N 3.17Å; Q888-L891 PolarHBondContact O-N 2.95Å; S889-L891 PolarHBondContact O-N 3.36Å
892S53.9Low51.5Low87 Ų87107.1 Ų107.161%0.60856%0.555SS**Hα-helixtrans-95.3-27.8180500000113.9Q888 S889 R894Q888-S892 PolarHBondContact O-N 2.81Å; Q888-S892 VanDerWaalsContact O-N 3.08Å; Q888-S892 PolarHBondContact O-OG 3.1Å; S889-S892 WeakPolarHBondContact CA-OG 3.48Å; S889-S892 PolarHBondContact O-N 3.48Å; S889-S892 PolarHBondContact O-OG 3.42Å; S889-S892 VanDerWaalsContact O-OG 3.09Å; S892-R894 PolarHBondContact O-N 3.04Å
893Y45.8Very low50.3Low162 Ų162113.2 Ų113.264%0.63558%0.581SS**  trans-76.185.2177.1-94.6-89.8000112.9S889S889-Y893 WeakPolarHBondContact O-CB 3.38Å; S889-Y893 WeakPolarHBondContact O-CD2 3.48Å; S889-Y893 PolarHBondContact O-N 2.77Å
894R42.2Very low48.7Very low228 Ų228116 Ų11686%0.8660%0.597SS**  trans-121.330.4171.1-114-175.7-177.3-155.30115.2S892S892-R894 PolarHBondContact O-N 3.04Å
895T32.3Very low47.8Very low128 Ų128119.1 Ų119.179%0.78561%0.611SS**SBendtrans-143.7167.7168.436.90000111.5
896D33.7Very low47.7Very low159 Ų159116 Ų11685%0.8560%0.598SS**  trans-53.1148.9-156.5-89.5-57.4000119.3
897S33.4Very low47.8Very low119 Ų119112.5 Ų112.583%0.83259%0.589SS**  trans-83.5110.8-178.557.30000112.9
898G39.3Very low48Very low82 Ų82114.1 Ų114.185%0.84560%0.595SS**  trans-157.920-176.800000117.7
899A32Very low48.4Very low90 Ų90110.6 Ų110.674%0.74458%0.581SS**SBendtrans-136.6150.6-177.300000114
900T32.6Very low49.3Very low143 Ų143109.4 Ų109.488%0.87757%0.57SS**  trans-78.5121.6-170.8-51.20000113
901R38.8Very low50.2Low229 Ų229105.3 Ų105.386%0.86455%0.551SS**  trans-67.5127.3174.4-79.8177.8162174.6-6.3113.6
902R37.6Very low51.3Low168 Ų168101.5 Ų101.563%0.63453%0.531SS*.  trans-138.9127.1138.4-65.3-170.2-176.2-169.111.4106.5E457E457-R902 WeakPolarHBondContact OE1-CD 3.27Å; E457-R902 IonicContact OE1-CZ 2.69Å; E457-R902 IonicContact OE1-NE 2.72Å; E457-R902 IonicContact OE1-NH1 3.98Å; E457-R902 PolarHBondContact OE1-NH1 3.01Å; E457-R902 IonicContact OE2-CZ 3.97Å; E457-R902 VanDerWaalsContact OE2-CZ 3.26Å; E457-R902 IonicContact OE2-NH1 3.58Å; E457-R902 PolarHBondContact OE2-NH1 3.28Å; E457-R902 IonicContact OE2-NH2 3.52Å
903K40.7Very low52.7Low187 Ų18799.9 Ų99.981%0.81351%0.512SS*.  cis102.485.228.9-166.9-178.9-166.2-177.70111.8
904L38.5Very low54.7Low97 Ų9794 Ų9451%0.50849%0.489SS..  trans53.691.1163.9-54.9-176000114.8E882E882-L904 HydrophobicContact CB-CD2 3.89Å; E882-L904 HydrophobicContact CG-CD2 3.66Å
905Q51.6Low57Low102 Ų10283.2 Ų83.248%0.47745%0.448SS..  trans-92.9179.1173.5-61.7-166.4-57.100111D910Q905-D910 WeakPolarHBondContact CB-OD2 3.4Å; Q905-D910 PolarHBondContact OE1-OD1 3.41Å
906D62.7Low59.7Low48 Ų4878.3 Ų78.326%0.25742%0.417SS..  trans-104.1115.3-173.8163.828.4000108F908 A909 D910D906-F908 CarbonylContact O-C 3.6Å; D906-F908 PolarHBondContact O-N 3.48Å; D906-F908 PolarHBondContact OD1-N 3.27Å; D906-A909 HydrophobicContact CB-CB 3.89Å; D906-A909 CarbonylContact O-C 3.5Å; D906-A909 WeakPolarHBondContact O-CA 2.96Å; D906-A909 VanDerWaalsContact O-CB 3.31Å; D906-A909 WeakPolarHBondContact O-CB 3.39Å; D906-A909 PolarHBondContact O-N 2.99Å; D906-A909 PolarHBondContact OD2-N 2.98Å; D906-D910 VanDerWaalsContact C-OD2 3.29Å; D906-D910 PolarHBondContact N-OD2 3.08Å; D906-D910 VanDerWaalsContact O-CG 3.31Å; D906-D910 PolarHBondContact O-N 3.28Å
907T70.3Confident62.2Low30 Ų3075.5 Ų75.518%0.18440%0.397CS..Hα-helixtrans-58.8-23-172.257.30000113.4S911T907-S911 WeakPolarHBondContact O-CB 3.4Å; T907-S911 PolarHBondContact O-N 3.46Å; T907-S911 PolarHBondContact O-OG 2.82Å
908F73.9Confident64.9Low36 Ų3671.7 Ų71.716%0.15837%0.367CS..Hα-helixtrans-74.4-44.6170.2178.8-111.6000112.7W450 D906 D910 S911 L912W450-F908 HydrophobicContact CH2-CE1 4.25Å; W450-F908 HydrophobicContact CZ2-CE1 4.13Å; D906-F908 CarbonylContact O-C 3.6Å; D906-F908 PolarHBondContact O-N 3.48Å; D906-F908 PolarHBondContact OD1-N 3.27Å; F908-D910 VanDerWaalsContact C-N 3.28Å; F908-D910 PolarHBondContact O-N 2.83Å; F908-S911 WeakPolarHBondContact CA-OG 3.27Å; F908-S911 PolarHBondContact O-OG 2.84Å; F908-L912 HydrophobicContact CD1-CD1 4.09Å; F908-L912 HydrophobicContact CE1-CD1 3.66Å; F908-L912 HydrophobicContact CE2-CD1 4.38Å; F908-L912 HydrophobicContact CE2-CG 4.46Å; F908-L912 HydrophobicContact CZ-CD1 3.83Å; F908-L912 HydrophobicContact CZ-CG 4.35Å; F908-L912 WeakPolarHBondContact O-CB 3.24Å; F908-L912 VanDerWaalsContact O-CG 3.3Å; F908-L912 WeakPolarHBondContact O-CG 3.46Å; F908-L912 PolarHBondContact O-N 3.42Å
909A72Confident67.3Low10 Ų1067.9 Ų67.98%0.08333%0.328CS..Hα-helixtrans-60.3-37170.600000112.6P453 D906 L912 R913P453-A909 HydrophobicContact CB-CB 4.29Å; P453-A909 HydrophobicContact CG-CB 3.84Å; D906-A909 HydrophobicContact CB-CB 3.89Å; D906-A909 CarbonylContact O-C 3.5Å; D906-A909 WeakPolarHBondContact O-CA 2.96Å; D906-A909 VanDerWaalsContact O-CB 3.31Å; D906-A909 WeakPolarHBondContact O-CB 3.39Å; D906-A909 PolarHBondContact O-N 2.99Å; D906-A909 PolarHBondContact OD2-N 2.98Å; A909-L912 PolarHBondContact O-N 2.89Å; A909-R913 WeakPolarHBondContact O-CD 3.46Å; A909-R913 VanDerWaalsContact O-CG 3.28Å; A909-R913 WeakPolarHBondContact O-CG 3.41Å; A909-R913 PolarHBondContact O-N 3.3Å
910D77.7Confident69.9Low25 Ų2564.8 Ų64.813%0.13430%0.299CS..Hα-helixtrans-74.4-41.6-178.1-60.3-39000112.2Q905 D906 F908 L912 R913 Y914 S965Q905-D910 WeakPolarHBondContact CB-OD2 3.4Å; Q905-D910 PolarHBondContact OE1-OD1 3.41Å; D906-D910 VanDerWaalsContact C-OD2 3.29Å; D906-D910 PolarHBondContact N-OD2 3.08Å; D906-D910 VanDerWaalsContact O-CG 3.31Å; D906-D910 PolarHBondContact O-N 3.28Å; F908-D910 VanDerWaalsContact C-N 3.28Å; F908-D910 PolarHBondContact O-N 2.83Å; D910-L912 PolarHBondContact O-N 3.48Å; D910-R913 CarbonylContact O-C 3.6Å; D910-R913 WeakPolarHBondContact O-CB 3.47Å; D910-R913 PolarHBondContact O-N 2.97Å; D910-R913 VanDerWaalsContact O-N 3.14Å; D910-R913 IonicContact OD1-CZ 2.68Å; D910-R913 IonicContact OD1-NH1 2.62Å; D910-R913 PolarHBondContact OD1-NH1 2.7Å; D910-Y914 WeakPolarHBondContact O-CB 3.31Å; D910-Y914 PolarHBondContact O-N 2.96Å; D910-S965 CarbonylContact C-O 3.6Å
911S84.1Confident72.4Confident1 Ų161.3 Ų61.31%0.00729%0.291CS..Hα-helixtrans-68-31.7171.348.30000113T907 F908 Y914 V915 S965 D967 Q969T907-S911 WeakPolarHBondContact O-CB 3.4Å; T907-S911 PolarHBondContact O-N 3.46Å; T907-S911 PolarHBondContact O-OG 2.82Å; F908-S911 WeakPolarHBondContact CA-OG 3.27Å; F908-S911 PolarHBondContact O-OG 2.84Å; S911-Y914 WeakPolarHBondContact O-CB 3.31Å; S911-Y914 PolarHBondContact O-N 3.38Å; S911-V915 WeakPolarHBondContact O-CG2 3.45Å; S911-V915 PolarHBondContact O-N 3.17Å; S911-S965 WeakPolarHBondContact CA-O 3.28Å; S911-S965 PolarHBondContact N-O 3.48Å; S911-D967 VanDerWaalsContact CB-O 3.32Å; S911-D967 WeakPolarHBondContact CB-O 3.33Å; S911-Q969 PolarHBondContact OG-NE2 3.36Å
912L85.4Confident74.8Confident1 Ų155.7 Ų55.71%0.00528%0.275CS..Hα-helixtrans-62.4-41.5166.9-76.3171.6000112.4W450 F908 A909 D910 N916 V930 Q969 F972W450-L912 HydrophobicContact CH2-CD1 3.87Å; F908-L912 HydrophobicContact CD1-CD1 4.09Å; F908-L912 HydrophobicContact CE1-CD1 3.66Å; F908-L912 HydrophobicContact CE2-CD1 4.38Å; F908-L912 HydrophobicContact CE2-CG 4.46Å; F908-L912 HydrophobicContact CZ-CD1 3.83Å; F908-L912 HydrophobicContact CZ-CG 4.35Å; F908-L912 WeakPolarHBondContact O-CB 3.24Å; F908-L912 VanDerWaalsContact O-CG 3.3Å; F908-L912 WeakPolarHBondContact O-CG 3.46Å; F908-L912 PolarHBondContact O-N 3.42Å; A909-L912 PolarHBondContact O-N 2.89Å; D910-L912 PolarHBondContact O-N 3.48Å; L912-N916 WeakPolarHBondContact O-CB 3.37Å; L912-N916 PolarHBondContact O-N 2.8Å; L912-V930 HydrophobicContact CD1-CG1 4.45Å; L912-V930 HydrophobicContact CD1-CG2 3.77Å; L912-V930 HydrophobicContact CD2-CG1 4.49Å; L912-V930 HydrophobicContact CD2-CG2 4.36Å; L912-Q969 HydrophobicContact CD2-CB 4.31Å; L912-Q969 HydrophobicContact CD2-CG 4.24Å; L912-Q969 HydrophobicContact CG-CG 4.34Å; L912-F972 HydrophobicContact CD2-CB 3.85Å; L912-F972 HydrophobicContact CD2-CD1 4.2Å; L912-F972 HydrophobicContact CD2-CD2 3.69Å; L912-F972 HydrophobicContact CD2-CE2 4.32Å; L912-F972 HydrophobicContact CD2-CG 3.64Å
913R82.9Confident77.1Confident52 Ų5250.6 Ų50.620%0.19626%0.257CS..Hα-helixtrans-64.5-41.1173.8-70.8157.4170.4167-9.9111.5P453 N454 A909 D910 N916 K917P453-R913 WeakPolarHBondContact O-CG 3.41Å; P453-R913 PolarHBondContact O-NE 2.67Å; N454-R913 PolarHBondContact O-NE 3.01Å; N454-R913 PolarHBondContact O-NH2 2.61Å; A909-R913 WeakPolarHBondContact O-CD 3.46Å; A909-R913 VanDerWaalsContact O-CG 3.28Å; A909-R913 WeakPolarHBondContact O-CG 3.41Å; A909-R913 PolarHBondContact O-N 3.3Å; D910-R913 CarbonylContact O-C 3.6Å; D910-R913 WeakPolarHBondContact O-CB 3.47Å; D910-R913 PolarHBondContact O-N 2.97Å; D910-R913 VanDerWaalsContact O-N 3.14Å; D910-R913 IonicContact OD1-CZ 2.68Å; D910-R913 IonicContact OD1-NH1 2.62Å; D910-R913 PolarHBondContact OD1-NH1 2.7Å; R913-N916 PolarHBondContact O-N 2.9Å; R913-K917 WeakPolarHBondContact O-CB 3.45Å; R913-K917 PolarHBondContact O-N 3.46Å
914Y87.1Confident79.1Confident40 Ų4043.4 Ų43.416%0.15724%0.236CC..Hα-helixtrans-59.3-54.5178.5-168.7-103000111.9D910 S911 N916 K917 L918 E953 K956 E966D910-Y914 WeakPolarHBondContact O-CB 3.31Å; D910-Y914 PolarHBondContact O-N 2.96Å; S911-Y914 WeakPolarHBondContact O-CB 3.31Å; S911-Y914 PolarHBondContact O-N 3.38Å; Y914-N916 VanDerWaalsContact C-N 3.32Å; Y914-N916 PolarHBondContact O-N 2.9Å; Y914-K917 WeakPolarHBondContact O-CB 3.23Å; Y914-K917 PolarHBondContact O-N 3.48Å; Y914-K917 VanDerWaalsContact O-N 3.13Å; Y914-L918 HydrophobicContact CD1-CD1 3.87Å; Y914-L918 HydrophobicContact CD1-CG 4.5Å; Y914-L918 HydrophobicContact CE1-CD1 3.67Å; Y914-L918 HydrophobicContact CE1-CG 4.37Å; Y914-L918 PolarHBondContact O-N 3.15Å; Y914-E953 PolarHBondContact OH-OE2 2.89Å; Y914-K956 PolarHBondContact OH-NZ 2.82Å; Y914-E966 HydrophobicContact CD1-CB 4.19Å; Y914-E966 HydrophobicContact CD2-CB 4.3Å; Y914-E966 HydrophobicContact CD2-CG 4.05Å; Y914-E966 HydrophobicContact CE1-CB 3.84Å; Y914-E966 HydrophobicContact CE1-CG 4.43Å; Y914-E966 WeakPolarHBondContact CE1-O 3.39Å; Y914-E966 HydrophobicContact CE2-CB 3.95Å; Y914-E966 HydrophobicContact CE2-CG 3.61Å; Y914-E966 HydrophobicContact CG-CB 4.4Å; Y914-E966 PolarHBondContact OH-OE2 3.38Å
915V91.1Very high81.1Confident1 Ų141.5 Ų41.51%0.00622%0.224CC..Hα-helixtrans-63.6-38.6176.6-178.10000111.2S911 K917 L918 L919 M968 Q969 F972 S973S911-V915 WeakPolarHBondContact O-CG2 3.45Å; S911-V915 PolarHBondContact O-N 3.17Å; V915-K917 VanDerWaalsContact C-N 3.29Å; V915-K917 PolarHBondContact O-N 3.18Å; V915-L918 PolarHBondContact O-N 2.8Å; V915-L919 HydrophobicContact CG1-CD1 3.79Å; V915-L919 HydrophobicContact CG1-CG 4.16Å; V915-L919 WeakPolarHBondContact O-CB 3.46Å; V915-L919 VanDerWaalsContact O-CG 3.24Å; V915-L919 WeakPolarHBondContact O-CG 3.46Å; V915-L919 PolarHBondContact O-N 2.9Å; V915-M968 HydrophobicContact CG2-SD 3.88Å; V915-Q969 HydrophobicContact CG2-CB 4.42Å; V915-F972 HydrophobicContact CB-CD1 3.93Å; V915-F972 HydrophobicContact CB-CE1 4.14Å; V915-F972 HydrophobicContact CG1-CD1 3.64Å; V915-F972 HydrophobicContact CG1-CE1 3.97Å; V915-S973 WeakPolarHBondContact CG1-OG 3.4Å
916N89.2Confident82.4Confident25 Ų2539.7 Ų39.713%0.13422%0.22CC..Hα-helixtrans-61.8-36.4175.4-173.854.1000112.4V452 L912 R913 Y914 N920 R928 F972V452-N916 HydrophobicContact CG1-CB 4.27Å; L912-N916 WeakPolarHBondContact O-CB 3.37Å; L912-N916 PolarHBondContact O-N 2.8Å; R913-N916 PolarHBondContact O-N 2.9Å; Y914-N916 VanDerWaalsContact C-N 3.32Å; Y914-N916 PolarHBondContact O-N 2.9Å; N916-N920 VanDerWaalsContact O-CB 3.28Å; N916-N920 WeakPolarHBondContact O-CB 3.39Å; N916-N920 PolarHBondContact O-N 2.86Å; N916-N920 PolarHBondContact O-ND2 3.3Å; N916-R928 PolarHBondContact O-NH1 3.2Å; N916-R928 VanDerWaalsContact OD1-CD 3.24Å; N916-R928 WeakPolarHBondContact OD1-CD 3.49Å; N916-R928 WeakPolarHBondContact OD1-CG 3.48Å; N916-R928 PolarHBondContact OD1-NH1 3.24Å; N916-F972 HydrophobicContact CB-CE1 4.13Å; N916-F972 HydrophobicContact CB-CZ 4.12Å
917K85.1Confident83.2Confident99 Ų9941.5 Ų41.543%0.4324%0.236SC..Hα-helixtrans-66.7-47.8173.5170173.2174.4149.90112D479 R913 Y914 V915 L919 N920 G921D479-K917 IonicContact OD1-NZ 3.04Å; D479-K917 PolarHBondContact OD1-NZ 2.67Å; D479-K917 WeakPolarHBondContact OD2-CD 3.33Å; D479-K917 WeakPolarHBondContact OD2-CE 3.49Å; D479-K917 IonicContact OD2-NZ 2.71Å; D479-K917 PolarHBondContact OD2-NZ 2.96Å; R913-K917 WeakPolarHBondContact O-CB 3.45Å; R913-K917 PolarHBondContact O-N 3.46Å; Y914-K917 WeakPolarHBondContact O-CB 3.23Å; Y914-K917 PolarHBondContact O-N 3.48Å; Y914-K917 VanDerWaalsContact O-N 3.13Å; V915-K917 VanDerWaalsContact C-N 3.29Å; V915-K917 PolarHBondContact O-N 3.18Å; K917-L919 PolarHBondContact O-N 3.32Å; K917-N920 PolarHBondContact O-N 3.07Å; K917-G921 PolarHBondContact O-N 3.34Å
918L90.3Very high83.9Confident39 Ų3940.2 Ų40.220%0.20423%0.228CC..Hα-helixtrans-57.1-47.5175.2-68.4173000111.6Y914 V915 N920 G921 Q922 F950 E953 M968Y914-L918 HydrophobicContact CD1-CD1 3.87Å; Y914-L918 HydrophobicContact CD1-CG 4.5Å; Y914-L918 HydrophobicContact CE1-CD1 3.67Å; Y914-L918 HydrophobicContact CE1-CG 4.37Å; Y914-L918 PolarHBondContact O-N 3.15Å; V915-L918 PolarHBondContact O-N 2.8Å; L918-N920 VanDerWaalsContact C-N 3.34Å; L918-N920 PolarHBondContact O-N 3.03Å; L918-G921 PolarHBondContact O-N 2.95Å; L918-Q922 PolarHBondContact O-N 2.77Å; L918-F950 HydrophobicContact CB-CE1 4.23Å; L918-E953 HydrophobicContact CD1-CB 4.31Å; L918-E953 HydrophobicContact CD1-CG 3.92Å; L918-E953 HydrophobicContact CD2-CG 4.39Å; L918-M968 HydrophobicContact CD1-SD 3.61Å
919L90.6Very high84.6Confident2 Ų243 Ų431%0.0124%0.24CC..Hα-helixtrans-66.1-32.4177.2-67.4168.9000113V915 K917 F923 F950 F972 Y976V915-L919 HydrophobicContact CG1-CD1 3.79Å; V915-L919 HydrophobicContact CG1-CG 4.16Å; V915-L919 WeakPolarHBondContact O-CB 3.46Å; V915-L919 VanDerWaalsContact O-CG 3.24Å; V915-L919 WeakPolarHBondContact O-CG 3.46Å; V915-L919 PolarHBondContact O-N 2.9Å; K917-L919 PolarHBondContact O-N 3.32Å; L919-F923 HydrophobicContact CD2-CD2 3.9Å; L919-F923 HydrophobicContact CD2-CE2 3.78Å; L919-F923 PolarHBondContact O-N 3.2Å; L919-F950 HydrophobicContact CD2-CE2 4.46Å; L919-F972 HydrophobicContact CD1-CD1 4.41Å; L919-F972 HydrophobicContact CD1-CE1 3.96Å; L919-Y976 HydrophobicContact CD1-CG 4.38Å
920N86.6Confident85.4Confident26 Ų2643 Ų4314%0.13924%0.239CC..Hα-helixtrans-70.7-33.2173.1-80.3-22.5000112.9N916 K917 L918 G924 F925 T926 R928N916-N920 VanDerWaalsContact O-CB 3.28Å; N916-N920 WeakPolarHBondContact O-CB 3.39Å; N916-N920 PolarHBondContact O-N 2.86Å; N916-N920 PolarHBondContact O-ND2 3.3Å; K917-N920 PolarHBondContact O-N 3.07Å; L918-N920 VanDerWaalsContact C-N 3.34Å; L918-N920 PolarHBondContact O-N 3.03Å; N920-G924 WeakPolarHBondContact CA-O 3.35Å; N920-G924 CarbonylContact O-C 3.53Å; N920-G924 VanDerWaalsContact O-CA 3.29Å; N920-G924 WeakPolarHBondContact O-CA 3.21Å; N920-G924 PolarHBondContact O-N 2.85Å; N920-G924 PolarHBondContact OD1-O 3.32Å; N920-F925 HydrophobicContact CB-CD2 4.3Å; N920-F925 VanDerWaalsContact ND2-CD2 3.28Å; N920-F925 WeakPolarHBondContact ND2-CD2 3.16Å; N920-F925 VanDerWaalsContact ND2-CE2 3.3Å; N920-F925 WeakPolarHBondContact ND2-CE2 3.28Å; N920-F925 WeakPolarHBondContact OD1-CA 3.49Å; N920-T926 PolarHBondContact OD1-N 2.69Å; N920-T926 PolarHBondContact OD1-O 3.48Å; N920-R928 PolarHBondContact OD1-NH1 3.19Å
921G84.7Confident86Confident69 Ų6942.4 Ų42.471%0.71124%0.236SC*.Hα-helixtrans-67.3-44.517200000112.3K917 L918K917-G921 PolarHBondContact O-N 3.34Å; L918-G921 PolarHBondContact O-N 2.95Å
922Q88.1Confident86.2Confident111 Ų11142.4 Ų42.452%0.51924%0.236SC..Hα-helixtrans-79.7-42.1-174.5-17367.5-2.600114.2L918 T949 F950L918-Q922 PolarHBondContact O-N 2.77Å; Q922-T949 HydrophobicContact CG-CG2 4.43Å; Q922-F950 HydrophobicContact CB-CE1 4.16Å; Q922-F950 HydrophobicContact CB-CZ 3.82Å; Q922-F950 HydrophobicContact CG-CE1 4.41Å; Q922-F950 HydrophobicContact CG-CZ 3.9Å
923F87.1Confident86.3Confident61 Ų6145.6 Ų45.627%0.26825%0.251SS..Hα-helixtrans-114.35.5-171.3-57.6-71.1000114L919 F950 F977 S980L919-F923 HydrophobicContact CD2-CD2 3.9Å; L919-F923 HydrophobicContact CD2-CE2 3.78Å; L919-F923 PolarHBondContact O-N 3.2Å; F923-F950 HydrophobicContact CE2-CZ 4.48Å; F923-F977 HydrophobicContact CE2-CD2 4.11Å; F923-F977 AromaticContact CZ-CD2 3.8Å; F923-F977 HydrophobicContact CZ-CD2 3.8Å; F923-F977 AromaticContact CZ-CE2 3.92Å; F923-F977 HydrophobicContact CZ-CE2 3.92Å; F923-S980 WeakPolarHBondContact CD1-O 3.42Å
924G81.3Confident86.6Confident36 Ų3643.7 Ų43.737%0.37125%0.245SC..  trans82.9165.7-173.100000113.2N920 T926N920-G924 WeakPolarHBondContact CA-O 3.35Å; N920-G924 CarbonylContact O-C 3.53Å; N920-G924 VanDerWaalsContact O-CA 3.29Å; N920-G924 WeakPolarHBondContact O-CA 3.21Å; N920-G924 PolarHBondContact O-N 2.85Å; N920-G924 PolarHBondContact OD1-O 3.32Å; G924-T926 PolarHBondContact O-N 3.45Å
925F80.6Confident86.9Confident57 Ų5741.8 Ų41.825%0.2524%0.237CC..  trans-72.4127.5-171.9-174.4-90.6000112.4G461 I464 K465 N920G461-F925 WeakPolarHBondContact O-CE1 3.44Å; G461-F925 WeakPolarHBondContact O-CZ 3.32Å; I464-F925 HydrophobicContact CB-CD2 4.46Å; I464-F925 HydrophobicContact CB-CE1 4.36Å; I464-F925 HydrophobicContact CB-CE2 3.67Å; I464-F925 HydrophobicContact CB-CZ 3.63Å; I464-F925 HydrophobicContact CD1-CE2 4.34Å; I464-F925 HydrophobicContact CD1-CZ 4.36Å; I464-F925 HydrophobicContact CG2-CD2 3.98Å; I464-F925 HydrophobicContact CG2-CE2 3.49Å; I464-F925 VanDerWaalsContact CG2-CE2 3.49Å; I464-F925 HydrophobicContact CG2-CZ 4.02Å; I464-F925 VanDerWaalsContact O-CD1 3.29Å; I464-F925 WeakPolarHBondContact O-CD1 3.25Å; I464-F925 WeakPolarHBondContact O-CE1 3.37Å; K465-F925 HydrophobicContact CB-CB 4.07Å; K465-F925 HydrophobicContact CB-CD1 4.43Å; K465-F925 HydrophobicContact CB-CD2 4.45Å; K465-F925 HydrophobicContact CB-CG 4.04Å; K465-F925 HydrophobicContact CD-CB 3.78Å; N920-F925 HydrophobicContact CB-CD2 4.3Å; N920-F925 VanDerWaalsContact ND2-CD2 3.28Å; N920-F925 WeakPolarHBondContact ND2-CD2 3.16Å; N920-F925 VanDerWaalsContact ND2-CE2 3.3Å; N920-F925 WeakPolarHBondContact ND2-CE2 3.28Å; N920-F925 WeakPolarHBondContact OD1-CA 3.49Å
926T79.8Confident87Confident65 Ų6542.3 Ų42.340%0.39924%0.24SC..  trans-143147.1166.955.40000110.7N920 G924 R928N920-T926 PolarHBondContact OD1-N 2.69Å; N920-T926 PolarHBondContact OD1-O 3.48Å; G924-T926 PolarHBondContact O-N 3.45Å; T926-R928 PolarHBondContact OG1-NE 3.41Å; T926-R928 PolarHBondContact OG1-NH2 3.43Å
927S78.6Confident87.2Confident85 Ų8541.3 Ų41.359%0.59423%0.234SC*.  trans-78130.7168.1-173.20000109.9
928R85.9Confident87.7Confident4 Ų436.6 Ų36.62%0.01521%0.214CC..  trans-119.8156-171.4-64.4-169.1177.984.73.9112.2V452 N916 N920 T926 F972 Y976V452-R928 HydrophobicContact CG2-CB 4.03Å; V452-R928 WeakPolarHBondContact CG2-O 3.47Å; V452-R928 PolarHBondContact N-O 3.31Å; N916-R928 PolarHBondContact O-NH1 3.2Å; N916-R928 VanDerWaalsContact OD1-CD 3.24Å; N916-R928 WeakPolarHBondContact OD1-CD 3.49Å; N916-R928 WeakPolarHBondContact OD1-CG 3.48Å; N916-R928 PolarHBondContact OD1-NH1 3.24Å; N920-R928 PolarHBondContact OD1-NH1 3.19Å; T926-R928 PolarHBondContact OG1-NE 3.41Å; T926-R928 PolarHBondContact OG1-NH2 3.43Å; R928-F972 HydrophobicContact CB-CE2 4.12Å; R928-F972 HydrophobicContact CB-CZ 3.88Å; R928-F972 HydrophobicContact CG-CZ 4.49Å; R928-Y976 HydrophobicContact CB-CE1 4.02Å; R928-Y976 HydrophobicContact CB-CE2 3.96Å; R928-Y976 VanDerWaalsContact CD-CD1 3.42Å; R928-Y976 HydrophobicContact CG-CD1 3.93Å; R928-Y976 HydrophobicContact CG-CE1 3.62Å; R928-Y976 HydrophobicContact CG-CE2 4.28Å; R928-Y976 HydrophobicContact CG-CG 4.4Å
929K88.2Confident87.9Confident93 Ų9335.5 Ų35.540%0.40421%0.208SC..EExtended strand (participates in β ladder)trans-117.3151.6175.5-77-175.9159.6-1440110.2L448 T449 W450 Y976L448-K929 HydrophobicContact CB-CB 4.09Å; L448-K929 HydrophobicContact CB-CD 4.23Å; L448-K929 HydrophobicContact CD1-CB 4.43Å; T449-K929 VanDerWaalsContact O-CD 3.32Å; T449-K929 WeakPolarHBondContact O-CD 3.44Å; T449-K929 VanDerWaalsContact O-CE 3.3Å; T449-K929 WeakPolarHBondContact O-CE 3.3Å; T449-K929 PolarHBondContact O-NZ 2.92Å; W450-K929 CarbonylContact O-C 3.6Å; W450-K929 VanDerWaalsContact O-CA 3.22Å; W450-K929 WeakPolarHBondContact O-CA 3.33Å; W450-K929 WeakPolarHBondContact O-CB 3.32Å; K929-Y976 PolarHBondContact N-OH 3.02Å; K929-Y976 WeakPolarHBondContact O-CE2 3.24Å; K929-Y976 PolarHBondContact O-OH 3.49Å; K929-Y976 VanDerWaalsContact O-OH 3.12Å
930V88.4Confident88.1Confident11 Ų1139.1 Ų39.17%0.06722%0.222CC..EExtended strand (participates in β ladder)trans-75.9132.7176.3-1710000109.8T449 W450 V452 L912T449-V930 PolarHBondContact N-O 3.03Å; T449-V930 PolarHBondContact OG1-O 2.76Å; T449-V930 VanDerWaalsContact OG1-O 3.13Å; W450-V930 HydrophobicContact CD2-CB 4.18Å; W450-V930 HydrophobicContact CD2-CG2 3.9Å; W450-V930 HydrophobicContact CE3-CG2 3.83Å; W450-V930 HydrophobicContact CH2-CG2 3.7Å; W450-V930 HydrophobicContact CZ2-CB 4.14Å; W450-V930 HydrophobicContact CZ2-CG1 4.19Å; W450-V930 HydrophobicContact CZ2-CG2 3.78Å; W450-V930 HydrophobicContact CZ3-CG2 3.72Å; W450-V930 PolarHBondContact O-N 3.28Å; V452-V930 HydrophobicContact CG2-CG2 4.41Å; L912-V930 HydrophobicContact CD1-CG1 4.45Å; L912-V930 HydrophobicContact CD1-CG2 3.77Å; L912-V930 HydrophobicContact CD2-CG1 4.49Å; L912-V930 HydrophobicContact CD2-CG2 4.36Å
931P90.5Very high88.4Confident12 Ų1243.4 Ų43.48%0.07824%0.244CC..EExtended strand (participates in β ladder)trans-52142.9168.8-27.735.1000112Y447 L448 F975Y447-P931 WeakPolarHBondContact O-CA 3.47Å; L448-P931 HydrophobicContact CD2-CG 4.47Å; P931-F975 HydrophobicContact CB-CD2 4.03Å; P931-F975 HydrophobicContact CB-CE2 4.48Å; P931-F975 HydrophobicContact CG-CB 4.46Å; P931-F975 HydrophobicContact CG-CD2 3.9Å
932A88.5Confident88.9Confident1 Ų140.3 Ų40.31%0.00821%0.211CC..PPolyproline II helixtrans-64.3146.5177.100000111Y447 T449 M934 H936 I1098Y447-A932 PolarHBondContact O-N 2.91Å; T449-A932 HydrophobicContact CG2-CB 3.66Å; A932-M934 HydrophobicContact CB-CG 4.04Å; A932-M934 WeakPolarHBondContact O-CG 3.2Å; A932-M934 PolarHBondContact O-N 3.49Å; A932-H936 PolarHBondContact O-CE1 3.45Å; A932-I1098 HydrophobicContact CB-CD1 3.34Å
933H87Confident89.2Confident69 Ų6935 Ų3532%0.31919%0.187SC..SBendtrans-78.692.6176.9-153.434.8000110.6N423 F1100 C1126N423-H933 PolarHBondContact ND2-CE1 3.05Å; N423-H933 PolarHBondContact ND2-NE2 3.06Å; H933-F1100 HydrophobicContact CB-CD2 4.13Å; H933-F1100 HydrophobicContact CB-CE2 4.24Å; H933-C1126 VanDerWaalsContact CD2-SG 3.5Å
934M90.5Very high89.6Confident11 Ų1136 Ų365%0.05419%0.192CC..SBendtrans-154.5168.6-172.860.176.866.700110.7F437 Y447 A932 H936 I1098 F1124F437-M934 HydrophobicContact CE1-CE 4.15Å; Y447-M934 HydrophobicContact CD2-CE 3.59Å; Y447-M934 HydrophobicContact CD2-SD 4.02Å; Y447-M934 HydrophobicContact CE2-CE 3.7Å; Y447-M934 HydrophobicContact CG-CE 4.33Å; A932-M934 HydrophobicContact CB-CG 4.04Å; A932-M934 WeakPolarHBondContact O-CG 3.2Å; A932-M934 PolarHBondContact O-N 3.49Å; M934-H936 PolarHBondContact O-CE1 3.48Å; M934-H936 VanDerWaalsContact O-CE1 3.25Å; M934-H936 PolarHBondContact O-N 3.43Å; M934-H936 PolarHBondContact O-ND1 3.33Å; M934-H936 PolarHBondContact SD-ND1 2.77Å; M934-I1098 HydrophobicContact CB-CD1 4.19Å; M934-I1098 HydrophobicContact CG-CD1 3.81Å; M934-F1124 HydrophobicContact CB-CB 3.86Å; M934-F1124 HydrophobicContact CB-CG 4.17Å; M934-F1124 HydrophobicContact CE-CD1 4.14Å; M934-F1124 HydrophobicContact CE-CD2 3.69Å; M934-F1124 HydrophobicContact CE-CE1 4.04Å; M934-F1124 HydrophobicContact CE-CE2 3.59Å; M934-F1124 HydrophobicContact CE-CG 3.96Å; M934-F1124 HydrophobicContact CE-CZ 3.76Å
935P92.8Very high90.3Very high0 Ų037 Ų370%019%0.187CC..  trans-59.7121-178.1-26.837.9000112.9I420 Y421 L422 V426 F428 F437 F1124I420-P935 HydrophobicContact CG2-CB 3.62Å; Y421-P935 CarbonylContact O-C 3.59Å; Y421-P935 WeakPolarHBondContact O-CA 3.44Å; L422-P935 HydrophobicContact CD1-CB 4.04Å; L422-P935 HydrophobicContact CD2-CB 4.11Å; L422-P935 HydrophobicContact CD2-CG 3.74Å; L422-P935 HydrophobicContact CG-CB 3.77Å; L422-P935 HydrophobicContact CG-CG 3.92Å; V426-P935 HydrophobicContact CG1-CG 3.63Å; F428-P935 HydrophobicContact CE1-CB 4.16Å; F428-P935 HydrophobicContact CE1-CG 3.68Å; F428-P935 HydrophobicContact CZ-CB 3.97Å; F428-P935 HydrophobicContact CZ-CG 3.76Å; F437-P935 HydrophobicContact CE1-CB 4.02Å; F437-P935 VanDerWaalsContact CE1-O 3.29Å; F437-P935 WeakPolarHBondContact CE1-O 3.38Å; F437-P935 HydrophobicContact CZ-CB 4.28Å; P935-F1124 HydrophobicContact CG-CD1 3.97Å
936H93.6Very high91Very high13 Ų1334.3 Ų34.36%0.0618%0.175CC..EExtended strand (participates in β ladder)trans-101.6115.9-171.7-69.6-26.5000112.1I420 Y421 A932 M934 I938 A971 F975I420-H936 CarbonylContact C-O 3.57Å; I420-H936 WeakPolarHBondContact CA-O 3.3Å; Y421-H936 PolarHBondContact N-O 2.86Å; Y421-H936 PolarHBondContact O-N 3.3Å; A932-H936 PolarHBondContact O-CE1 3.45Å; M934-H936 PolarHBondContact O-CE1 3.48Å; M934-H936 VanDerWaalsContact O-CE1 3.25Å; M934-H936 PolarHBondContact O-N 3.43Å; M934-H936 PolarHBondContact O-ND1 3.33Å; M934-H936 PolarHBondContact SD-ND1 2.77Å; H936-I938 HydrophobicContact CB-CD1 4.2Å; H936-I938 PolarHBondContact O-N 3.12Å; H936-A971 VanDerWaalsContact CD2-CB 3.48Å; H936-A971 WeakPolarHBondContact CD2-CB 3.5Å; H936-A971 WeakPolarHBondContact NE2-CB 3.14Å; H936-F975 HydrophobicContact CB-CE2 4.23Å; H936-F975 HydrophobicContact CB-CZ 4.16Å; H936-F975 AromaticContact CE1-CE2 3.8Å; H936-F975 AromaticContact CG-CE2 3.73Å; H936-F975 AromaticContact ND1-CE2 3.57Å; H936-F975 AromaticContact ND1-CZ 3.86Å
937M93.6Very high91.8Very high3 Ų331.7 Ų31.72%0.01516%0.159CC..EExtended strand (participates in β ladder)trans-76.5117.6170.6-177.3172.9-75.700110.7I90 K418 F419 I420 F437I90-M937 HydrophobicContact CD1-CE 3.76Å; I90-M937 HydrophobicContact CG1-CE 4.33Å; I90-M937 HydrophobicContact CG2-CE 4.35Å; K418-M937 HydrophobicContact CB-CG 4.46Å; K418-M937 HydrophobicContact CB-SD 4.41Å; K418-M937 HydrophobicContact CD-SD 4.02Å; F419-M937 CarbonylContact O-C 3.6Å; F419-M937 WeakPolarHBondContact O-CA 3.35Å; I420-M937 HydrophobicContact CD1-CE 3.98Å; I420-M937 HydrophobicContact CG1-CB 4.22Å; I420-M937 HydrophobicContact CG1-CE 3.96Å; I420-M937 HydrophobicContact CG1-CG 4.48Å; F437-M937 HydrophobicContact CB-CB 3.79Å; F437-M937 HydrophobicContact CB-CE 3.62Å; F437-M937 HydrophobicContact CB-CG 4.42Å; F437-M937 HydrophobicContact CB-SD 3.84Å; F437-M937 HydrophobicContact CD1-CB 4.33Å; F437-M937 HydrophobicContact CD2-CE 4.2Å; F437-M937 HydrophobicContact CG-CB 4.25Å; F437-M937 HydrophobicContact CG-CE 4.11Å
938I95.4Very high92.6Very high0 Ų032.7 Ų32.70%016%0.157CC..EExtended strand (participates in β ladder)trans-111.8133.3-179-53.5-58.9000109.3K418 F419 H936 M943 F970 Y974K418-I938 WeakPolarHBondContact CA-O 3.32Å; F419-I938 HydrophobicContact CD1-CB 4.3Å; F419-I938 WeakPolarHBondContact CD1-O 3.49Å; F419-I938 HydrophobicContact CE1-CB 3.7Å; F419-I938 HydrophobicContact CE1-CG2 3.69Å; F419-I938 HydrophobicContact CE2-CB 4.01Å; F419-I938 HydrophobicContact CE2-CG1 4.24Å; F419-I938 HydrophobicContact CZ-CB 3.55Å; F419-I938 HydrophobicContact CZ-CG1 4.12Å; F419-I938 HydrophobicContact CZ-CG2 3.63Å; F419-I938 PolarHBondContact N-O 3.03Å; F419-I938 PolarHBondContact O-N 2.82Å; H936-I938 HydrophobicContact CB-CD1 4.2Å; H936-I938 PolarHBondContact O-N 3.12Å; I938-M943 HydrophobicContact CG2-CB 4.22Å; I938-F970 HydrophobicContact CD1-CE1 4.01Å; I938-F970 HydrophobicContact CD1-CZ 4.07Å; I938-F970 HydrophobicContact CG1-CE1 4.07Å; I938-F970 HydrophobicContact CG1-CZ 3.95Å; I938-F970 HydrophobicContact CG2-CZ 4.36Å; I938-Y974 HydrophobicContact CD1-CD1 3.57Å; I938-Y974 HydrophobicContact CD1-CD2 4.19Å; I938-Y974 HydrophobicContact CD1-CE1 3.75Å; I938-Y974 HydrophobicContact CD1-CE2 4.34Å; I938-Y974 HydrophobicContact CD1-CG 3.82Å; I938-Y974 HydrophobicContact CG2-CD2 4.17Å; I938-Y974 HydrophobicContact CG2-CE2 3.85Å
939D94Very high93Very high17 Ų1734.7 Ų34.79%0.09117%0.17CC..EExtended strand (participates in β ladder)trans-98.7125.8168.7-167.6-52.3000109.9Q417 K418 L941 V942 M943 Y974Q417-D939 PolarHBondContact NE2-OD1 3.22Å; K418-D939 HydrophobicContact CG-CB 4.23Å; K418-D939 WeakPolarHBondContact CG-OD2 3.48Å; K418-D939 IonicContact NZ-OD2 2.63Å; K418-D939 PolarHBondContact NZ-OD2 2.64Å; D939-L941 VanDerWaalsContact C-N 3.26Å; D939-L941 PolarHBondContact O-N 3.06Å; D939-L941 PolarHBondContact OD1-N 3.39Å; D939-V942 HydrophobicContact CB-CB 4.21Å; D939-V942 HydrophobicContact CB-CG2 3.89Å; D939-V942 PolarHBondContact O-N 2.77Å; D939-M943 PolarHBondContact O-N 2.53Å; D939-Y974 PolarHBondContact N-OH 2.88Å
940R94.2Very high93.3Very high78 Ų7831.3 Ų31.329%0.29416%0.155SC..Hα-helixtrans-64-27.4-175.9-63.6175.664.2-148.4-12.2113.1H410 L415 S416 Q417 F419 Q944H410-R940 HydrophobicContact CB-CG 4.33Å; H410-R940 PolarHBondContact O-NE 3Å; H410-R940 PolarHBondContact O-NH2 3.38Å; L415-R940 PolarHBondContact O-NH1 2.81Å; S416-R940 WeakPolarHBondContact O-CD 3.32Å; Q417-R940 PolarHBondContact O-N 3.33Å; F419-R940 HydrophobicContact CD1-CG 3.92Å; F419-R940 HydrophobicContact CE1-CG 3.73Å; R940-Q944 WeakPolarHBondContact O-CB 3.32Å; R940-Q944 PolarHBondContact O-N 3.11Å
941L93.1Very high93.7Very high115 Ų11534.5 Ų34.560%0.60218%0.176SC*.Hα-helixtrans-77.2-39.7176.9-79.8164.1000111.7Q417 D939 M943 Q944 E945Q417-L941 VanDerWaalsContact NE2-CG 3.31Å; D939-L941 VanDerWaalsContact C-N 3.26Å; D939-L941 PolarHBondContact O-N 3.06Å; D939-L941 PolarHBondContact OD1-N 3.39Å; L941-M943 VanDerWaalsContact C-N 3.34Å; L941-Q944 PolarHBondContact O-N 3.21Å; L941-E945 PolarHBondContact O-N 2.87Å
942V95.1Very high93.9Very high5 Ų541.1 Ų41.13%0.0321%0.206CC..Hα-helixtrans-67.4-38.7175.4-177.10000110.4D939 L946 Y974 F977 L978 Y1088D939-V942 HydrophobicContact CB-CB 4.21Å; D939-V942 HydrophobicContact CB-CG2 3.89Å; D939-V942 PolarHBondContact O-N 2.77Å; V942-L946 WeakPolarHBondContact O-CB 3.2Å; V942-L946 PolarHBondContact O-N 3.01Å; V942-Y974 HydrophobicContact CB-CE2 3.86Å; V942-Y974 HydrophobicContact CG1-CD2 4.35Å; V942-Y974 HydrophobicContact CG1-CE2 3.79Å; V942-F977 HydrophobicContact CG1-CD1 4.03Å; V942-F977 HydrophobicContact CG1-CE1 4.37Å; V942-L978 HydrophobicContact CG1-CB 4.29Å; V942-L978 HydrophobicContact CG1-CD1 4.42Å; V942-Y1088 HydrophobicContact CG1-CE2 4.23Å; V942-Y1088 HydrophobicContact CG2-CD1 4.06Å; V942-Y1088 HydrophobicContact CG2-CE1 3.63Å; V942-Y1088 HydrophobicContact CG2-CE2 4.27Å
943M95.9Very high94.2Very high0 Ų042.3 Ų42.30%021%0.211CC..Hα-helixtrans-65.9-39.5173.7-168.466.3-154.100112.2H410 I938 D939 L941 L946 Q947 F954 F970 Y974H410-M943 HydrophobicContact CB-CB 4.36Å; H410-M943 HydrophobicContact CB-CG 4.08Å; I938-M943 HydrophobicContact CG2-CB 4.22Å; D939-M943 PolarHBondContact O-N 2.53Å; L941-M943 VanDerWaalsContact C-N 3.34Å; M943-L946 HydrophobicContact CE-CD2 4.16Å; M943-L946 HydrophobicContact SD-CD2 3.98Å; M943-Q947 HydrophobicContact CE-CG 4.02Å; M943-Q947 WeakPolarHBondContact O-CG 3.29Å; M943-Q947 PolarHBondContact O-N 2.72Å; M943-Q947 VanDerWaalsContact O-N 3.1Å; M943-F954 HydrophobicContact CE-CE1 3.97Å; M943-F954 HydrophobicContact CE-CZ 4.18Å; M943-F970 HydrophobicContact CE-CD2 3.86Å; M943-F970 HydrophobicContact CE-CE2 3.73Å; M943-F970 HydrophobicContact CG-CE2 4.48Å; M943-F970 HydrophobicContact SD-CD2 4.15Å; M943-F970 HydrophobicContact SD-CE2 3.58Å; M943-F970 VanDerWaalsContact SD-CE2 3.58Å; M943-F970 HydrophobicContact SD-CZ 4.47Å; M943-Y974 HydrophobicContact CB-CD2 4.49Å; M943-Y974 HydrophobicContact SD-CD2 4.13Å
944Q95.1Very high94.6Very high80 Ų8039.5 Ų39.537%0.37420%0.198SC..Hα-helixtrans-63-49.2175.5-175.164.859.200111.1R940 L941 L946 Q947 D948R940-Q944 WeakPolarHBondContact O-CB 3.32Å; R940-Q944 PolarHBondContact O-N 3.11Å; L941-Q944 PolarHBondContact O-N 3.21Å; Q944-L946 VanDerWaalsContact C-N 3.31Å; Q944-L946 PolarHBondContact O-N 3.04Å; Q944-Q947 CarbonylContact O-C 3.55Å; Q944-Q947 WeakPolarHBondContact O-CA 3.36Å; Q944-Q947 PolarHBondContact O-N 2.89Å; Q944-D948 PolarHBondContact NE2-OD1 2.85Å; Q944-D948 PolarHBondContact O-N 2.9Å
945E95.2Very high94.8Very high59 Ų5943.5 Ų43.528%0.27622%0.22SC..Hα-helixtrans-64.3-34.8-179.6-166.9-178.6159.200112.8L941 Q947 D948 T949 F977 K1087 Y1088L941-E945 PolarHBondContact O-N 2.87Å; E945-Q947 VanDerWaalsContact C-N 3.33Å; E945-D948 PolarHBondContact O-N 3.17Å; E945-T949 WeakPolarHBondContact O-CB 3.37Å; E945-T949 PolarHBondContact O-N 2.8Å; E945-T949 PolarHBondContact O-OG1 2.66Å; E945-F977 HydrophobicContact CB-CE1 4.18Å; E945-F977 HydrophobicContact CB-CZ 4.19Å; E945-F977 HydrophobicContact CG-CE1 4.26Å; E945-F977 HydrophobicContact CG-CZ 3.86Å; E945-K1087 IonicContact OE1-NZ 2.77Å; E945-K1087 PolarHBondContact OE1-NZ 3.37Å; E945-K1087 IonicContact OE2-NZ 3.95Å; E945-K1087 PolarHBondContact OE2-NZ 3.02Å; E945-Y1088 PolarHBondContact OE2-OH 3.46Å
946L96.2Very high94.9Very high0 Ų046.8 Ų46.80%023%0.234CC..Hα-helixtrans-59.8-42.6169.9165.159.9000111.6V942 M943 Q944 T949 F950 F954 F977V942-L946 WeakPolarHBondContact O-CB 3.2Å; V942-L946 PolarHBondContact O-N 3.01Å; M943-L946 HydrophobicContact CE-CD2 4.16Å; M943-L946 HydrophobicContact SD-CD2 3.98Å; Q944-L946 VanDerWaalsContact C-N 3.31Å; Q944-L946 PolarHBondContact O-N 3.04Å; L946-T949 PolarHBondContact O-N 2.93Å; L946-F950 HydrophobicContact CD1-CD2 3.84Å; L946-F950 HydrophobicContact CD1-CE2 4.16Å; L946-F950 PolarHBondContact O-N 2.8Å; L946-F954 HydrophobicContact CD1-CE2 3.89Å; L946-F954 HydrophobicContact CD1-CZ 3.97Å; L946-F954 HydrophobicContact CD2-CZ 3.97Å; L946-F954 HydrophobicContact CG-CE2 3.75Å; L946-F954 HydrophobicContact CG-CZ 3.66Å; L946-F977 HydrophobicContact CB-CB 4.41Å; L946-F977 HydrophobicContact CB-CD1 3.9Å; L946-F977 HydrophobicContact CB-CD2 4.23Å; L946-F977 HydrophobicContact CB-CE1 4.24Å; L946-F977 HydrophobicContact CB-CG 3.91Å; L946-F977 HydrophobicContact CD1-CB 3.91Å; L946-F977 HydrophobicContact CD1-CD2 3.91Å; L946-F977 HydrophobicContact CD1-CG 3.96Å; L946-F977 HydrophobicContact CD2-CB 4.39Å; L946-F977 HydrophobicContact CG-CB 4.46Å; L946-F977 HydrophobicContact CG-CG 4.4Å
947Q95.6Very high94.9Very high10 Ų1046.1 Ų46.15%0.04723%0.231CC..Hα-helixtrans-71.8-36.2176.7-67.8-167.1-22.300112.8T407 H410 M943 Q944 E945 T949 F950 P951 F954T407-Q947 PolarHBondContact O-NE2 2.8Å; H410-Q947 PolarHBondContact CE1-OE1 2.79Å; H410-Q947 PolarHBondContact NE2-OE1 2.92Å; M943-Q947 HydrophobicContact CE-CG 4.02Å; M943-Q947 WeakPolarHBondContact O-CG 3.29Å; M943-Q947 PolarHBondContact O-N 2.72Å; M943-Q947 VanDerWaalsContact O-N 3.1Å; Q944-Q947 CarbonylContact O-C 3.55Å; Q944-Q947 WeakPolarHBondContact O-CA 3.36Å; Q944-Q947 PolarHBondContact O-N 2.89Å; E945-Q947 VanDerWaalsContact C-N 3.33Å; Q947-T949 PolarHBondContact O-N 3.37Å; Q947-F950 CarbonylContact O-C 3.58Å; Q947-F950 PolarHBondContact O-N 2.91Å; Q947-P951 VanDerWaalsContact O-CA 3.25Å; Q947-P951 WeakPolarHBondContact O-CA 3.37Å; Q947-P951 VanDerWaalsContact O-N 3.14Å; Q947-F954 HydrophobicContact CB-CD2 4.09Å; Q947-F954 HydrophobicContact CB-CE2 4.43Å; Q947-F954 HydrophobicContact CB-CG 4.49Å; Q947-F954 HydrophobicContact CG-CB 4.45Å; Q947-F954 HydrophobicContact CG-CD1 4.11Å; Q947-F954 HydrophobicContact CG-CD2 3.67Å; Q947-F954 HydrophobicContact CG-CE1 4.28Å; Q947-F954 HydrophobicContact CG-CE2 3.85Å; Q947-F954 HydrophobicContact CG-CG 3.81Å; Q947-F954 HydrophobicContact CG-CZ 4.16Å
948D95.1Very high95Very high105 Ų10546.2 Ų46.256%0.56123%0.232SC*.Hα-helixtrans-66.7-23.8173.6-59.7-20.5000111.9Q944 E945Q944-D948 PolarHBondContact NE2-OD1 2.85Å; Q944-D948 PolarHBondContact O-N 2.9Å; E945-D948 PolarHBondContact O-N 3.17Å
949T94.3Very high94.9Very high46 Ų4648 Ų4828%0.28225%0.247SC..Hα-helixtrans-81.2-36.4176.5-56.90000113Q922 E945 L946 Q947 P951 F977Q922-T949 HydrophobicContact CG-CG2 4.43Å; E945-T949 WeakPolarHBondContact O-CB 3.37Å; E945-T949 PolarHBondContact O-N 2.8Å; E945-T949 PolarHBondContact O-OG1 2.66Å; L946-T949 PolarHBondContact O-N 2.93Å; Q947-T949 PolarHBondContact O-N 3.37Å; T949-P951 VanDerWaalsContact C-CD 3.4Å; T949-F977 HydrophobicContact CG2-CE2 4.23Å; T949-F977 WeakPolarHBondContact OG1-CE2 3.31Å
950F96.2Very high94.6Very high22 Ų2249 Ų4910%0.09625%0.251CS..SBendtrans-126.852.9-178.1-56.8-79.9000113.1L918 L919 Q922 F923 L946 Q947 E952 E953 F954 M968L918-F950 HydrophobicContact CB-CE1 4.23Å; L919-F950 HydrophobicContact CD2-CE2 4.46Å; Q922-F950 HydrophobicContact CB-CE1 4.16Å; Q922-F950 HydrophobicContact CB-CZ 3.82Å; Q922-F950 HydrophobicContact CG-CE1 4.41Å; Q922-F950 HydrophobicContact CG-CZ 3.9Å; F923-F950 HydrophobicContact CE2-CZ 4.48Å; L946-F950 HydrophobicContact CD1-CD2 3.84Å; L946-F950 HydrophobicContact CD1-CE2 4.16Å; L946-F950 PolarHBondContact O-N 2.8Å; Q947-F950 CarbonylContact O-C 3.58Å; Q947-F950 PolarHBondContact O-N 2.91Å; F950-E952 PolarHBondContact O-N 2.98Å; F950-E953 HydrophobicContact CB-CB 4.34Å; F950-E953 PolarHBondContact O-N 2.84Å; F950-F954 HydrophobicContact CB-CD2 4.19Å; F950-F954 HydrophobicContact CB-CE2 4.18Å; F950-F954 VanDerWaalsContact O-CD2 3.31Å; F950-F954 WeakPolarHBondContact O-CD2 3.39Å; F950-F954 PolarHBondContact O-N 2.88Å; F950-M968 HydrophobicContact CB-CE 4.22Å; F950-M968 HydrophobicContact CD2-CE 4.34Å; F950-M968 HydrophobicContact CG-CE 4.39Å
951P95.5Very high94.3Very high78 Ų7848.3 Ų48.351%0.50625%0.248SC..Hα-helixtrans-63.2-39.6-166.424.3-34.8000113.6Q947 T949 E953 F954 D955Q947-P951 VanDerWaalsContact O-CA 3.25Å; Q947-P951 WeakPolarHBondContact O-CA 3.37Å; Q947-P951 VanDerWaalsContact O-N 3.14Å; T949-P951 VanDerWaalsContact C-CD 3.4Å; P951-E953 VanDerWaalsContact C-N 3.33Å; P951-E953 PolarHBondContact O-N 2.91Å; P951-F954 PolarHBondContact O-N 3.04Å; P951-D955 PolarHBondContact O-N 3.45Å
952E95Very high93.9Very high151 Ų15143.5 Ų43.571%0.70622%0.224SC*.Hα-helixtrans-63.8-38.8178.8-61.8-176-175.600111.7F950 D955 K956F950-E952 PolarHBondContact O-N 2.98Å; E952-D955 PolarHBondContact O-N 3.09Å; E952-K956 WeakPolarHBondContact O-CG 3.4Å; E952-K956 PolarHBondContact O-N 2.93Å
953E95.3Very high93.3Very high27 Ų2744.6 Ų44.613%0.12623%0.227CC..Hα-helixtrans-74.6-33.7-176.9-54.3-56.5161.100112.4Y914 L918 F950 P951 K956 T957 M968Y914-E953 PolarHBondContact OH-OE2 2.89Å; L918-E953 HydrophobicContact CD1-CB 4.31Å; L918-E953 HydrophobicContact CD1-CG 3.92Å; L918-E953 HydrophobicContact CD2-CG 4.39Å; F950-E953 HydrophobicContact CB-CB 4.34Å; F950-E953 PolarHBondContact O-N 2.84Å; P951-E953 VanDerWaalsContact C-N 3.33Å; P951-E953 PolarHBondContact O-N 2.91Å; E953-K956 IonicContact OE1-NZ 3.24Å; E953-K956 PolarHBondContact OE1-NZ 3.1Å; E953-K956 WeakPolarHBondContact OE2-CD 3.43Å; E953-K956 WeakPolarHBondContact OE2-CE 3.23Å; E953-K956 IonicContact OE2-NZ 2.7Å; E953-K956 PolarHBondContact OE2-NZ 2.94Å; E953-T957 WeakPolarHBondContact O-CB 3.34Å; E953-T957 PolarHBondContact O-N 3.31Å; E953-T957 PolarHBondContact O-OG1 3.06Å; E953-M968 HydrophobicContact CB-CG 3.84Å; E953-M968 HydrophobicContact CB-SD 3.86Å
954F95.6Very high92.7Very high10 Ų1046.8 Ų46.84%0.04424%0.237CC..Hα-helixtrans-71.7-28.8169.4-76.5-70.8000113.1T407 M943 L946 Q947 F950 P951 S958 M968T407-F954 HydrophobicContact CG2-CD1 3.66Å; T407-F954 HydrophobicContact CG2-CE1 3.59Å; M943-F954 HydrophobicContact CE-CE1 3.97Å; M943-F954 HydrophobicContact CE-CZ 4.18Å; L946-F954 HydrophobicContact CD1-CE2 3.89Å; L946-F954 HydrophobicContact CD1-CZ 3.97Å; L946-F954 HydrophobicContact CD2-CZ 3.97Å; L946-F954 HydrophobicContact CG-CE2 3.75Å; L946-F954 HydrophobicContact CG-CZ 3.66Å; Q947-F954 HydrophobicContact CB-CD2 4.09Å; Q947-F954 HydrophobicContact CB-CE2 4.43Å; Q947-F954 HydrophobicContact CB-CG 4.49Å; Q947-F954 HydrophobicContact CG-CB 4.45Å; Q947-F954 HydrophobicContact CG-CD1 4.11Å; Q947-F954 HydrophobicContact CG-CD2 3.67Å; Q947-F954 HydrophobicContact CG-CE1 4.28Å; Q947-F954 HydrophobicContact CG-CE2 3.85Å; Q947-F954 HydrophobicContact CG-CG 3.81Å; Q947-F954 HydrophobicContact CG-CZ 4.16Å; F950-F954 HydrophobicContact CB-CD2 4.19Å; F950-F954 HydrophobicContact CB-CE2 4.18Å; F950-F954 VanDerWaalsContact O-CD2 3.31Å; F950-F954 WeakPolarHBondContact O-CD2 3.39Å; F950-F954 PolarHBondContact O-N 2.88Å; P951-F954 PolarHBondContact O-N 3.04Å; F954-S958 WeakPolarHBondContact O-CB 3.12Å; F954-S958 PolarHBondContact O-N 2.82Å; F954-M968 HydrophobicContact CD1-CB 3.82Å; F954-M968 HydrophobicContact CD1-CG 4.1Å; F954-M968 HydrophobicContact CD2-CE 4.26Å; F954-M968 HydrophobicContact CE1-CB 3.54Å; F954-M968 HydrophobicContact CE1-CE 4.17Å; F954-M968 HydrophobicContact CE1-CG 4.07Å; F954-M968 HydrophobicContact CE2-CE 3.53Å; F954-M968 HydrophobicContact CG-CG 4.35Å; F954-M968 HydrophobicContact CZ-CB 4.09Å; F954-M968 HydrophobicContact CZ-CE 3.47Å; F954-M968 VanDerWaalsContact CZ-CE 3.47Å; F954-M968 HydrophobicContact CZ-CG 4.3Å
955D94.6Very high92.1Very high94 Ų9445 Ų4550%0.50323%0.233SC..Hα-helixtrans-73.4-42.7174.8-161.752.9000111.9H396 P951 E952 T957 S958 A959H396-D955 IonicContact CE1-OD1 3.23Å; H396-D955 PolarHBondContact CE1-OD1 2.82Å; P951-D955 PolarHBondContact O-N 3.45Å; E952-D955 PolarHBondContact O-N 3.09Å; D955-T957 PolarHBondContact O-N 2.86Å; D955-S958 WeakPolarHBondContact O-CB 3.22Å; D955-S958 PolarHBondContact O-N 2.63Å; D955-S958 VanDerWaalsContact O-N 3.13Å; D955-A959 PolarHBondContact O-N 2.87Å
956K93.4Very high91.7Very high69 Ų6945.3 Ų45.330%0.324%0.235SC..Hα-helixtrans-53.3-54.1168-67.5-177.8-157.8166.60111.2Y914 E952 E953 S958 A959 H960 E966Y914-K956 PolarHBondContact OH-NZ 2.82Å; E952-K956 WeakPolarHBondContact O-CG 3.4Å; E952-K956 PolarHBondContact O-N 2.93Å; E953-K956 IonicContact OE1-NZ 3.24Å; E953-K956 PolarHBondContact OE1-NZ 3.1Å; E953-K956 WeakPolarHBondContact OE2-CD 3.43Å; E953-K956 WeakPolarHBondContact OE2-CE 3.23Å; E953-K956 IonicContact OE2-NZ 2.7Å; E953-K956 PolarHBondContact OE2-NZ 2.94Å; K956-S958 PolarHBondContact O-N 3.38Å; K956-A959 PolarHBondContact O-N 3.45Å; K956-H960 PolarHBondContact O-CD2 3.5Å; K956-H960 VanDerWaalsContact O-CG 3.31Å; K956-H960 PolarHBondContact O-N 3.39Å; K956-H960 VanDerWaalsContact O-N 3.12Å; K956-H960 PolarHBondContact O-ND1 3.09Å; K956-E966 IonicContact NZ-OE2 3.25Å; K956-E966 PolarHBondContact NZ-OE2 3.09Å; K956-E966 VanDerWaalsContact NZ-OE2 3.12Å
957T94.9Very high91.5Very high0 Ų045.3 Ų45.30%024%0.235CC..Hα-helixtrans-56.8-36.2178.2-55.80000111.7P403 A404 T407 E953 D955 D967 M968P403-T957 HydrophobicContact CB-CG2 3.97Å; A404-T957 WeakPolarHBondContact CA-O 3.38Å; A404-T957 WeakPolarHBondContact CB-O 3.49Å; T407-T957 HydrophobicContact CG2-CG2 4.39Å; E953-T957 WeakPolarHBondContact O-CB 3.34Å; E953-T957 PolarHBondContact O-N 3.31Å; E953-T957 PolarHBondContact O-OG1 3.06Å; D955-T957 PolarHBondContact O-N 2.86Å; T957-D967 HydrophobicContact CG2-CB 4.34Å; T957-M968 HydrophobicContact CG2-CB 4.2Å; T957-M968 WeakPolarHBondContact OG1-CB 3.46Å; T957-M968 WeakPolarHBondContact OG1-CG 3.47Å; T957-M968 PolarHBondContact OG1-N 2.61Å
958S94.9Very high91.5Very high4 Ų445 Ų453%0.02823%0.233CC..Hα-helixtrans-67.4-38.5175.4-173.40000112.8H396 H408 F954 D955 K956H396-S958 WeakPolarHBondContact CB-O 3.27Å; H396-S958 WeakPolarHBondContact ND1-CB 3.18Å; H396-S958 PolarHBondContact ND1-OG 2.78Å; H408-S958 PolarHBondContact CE1-OG 3.42Å; H408-S958 PolarHBondContact NE2-OG 3.21Å; F954-S958 WeakPolarHBondContact O-CB 3.12Å; F954-S958 PolarHBondContact O-N 2.82Å; D955-S958 WeakPolarHBondContact O-CB 3.22Å; D955-S958 PolarHBondContact O-N 2.63Å; D955-S958 VanDerWaalsContact O-N 3.13Å; K956-S958 PolarHBondContact O-N 3.38Å
959A92.9Very high91.3Very high39 Ų3940.5 Ų40.532%0.32221%0.209SC..Hα-helixtrans-76.3-24.7-176.800000113.8D955 K956 R961D955-A959 PolarHBondContact O-N 2.87Å; K956-A959 PolarHBondContact O-N 3.45Å; A959-R961 PolarHBondContact O-N 2.83Å
960H89.6Confident91.2Very high38 Ų3838.4 Ų38.418%0.17620%0.196CC..  trans-62126.5-179.9-61.8148.7000112.1T399 K956 H964 D967T399-H960 PolarHBondContact OG1-O 2.85Å; K956-H960 PolarHBondContact O-CD2 3.5Å; K956-H960 VanDerWaalsContact O-CG 3.31Å; K956-H960 PolarHBondContact O-N 3.39Å; K956-H960 VanDerWaalsContact O-N 3.12Å; K956-H960 PolarHBondContact O-ND1 3.09Å; H960-H964 HydrophobicContact CB-CB 4.44Å; H960-H964 AromaticContact CE1-CG 3.86Å; H960-H964 AromaticContact CE1-ND1 3.56Å; H960-H964 WeakPolarHBondContact ND1-CB 3.3Å; H960-H964 AromaticContact NE2-CG 3.91Å; H960-H964 AromaticContact NE2-ND1 3.58Å; H960-D967 IonicContact CE1-OD1 3.49Å; H960-D967 IonicContact CG-OD1 2.64Å; H960-D967 IonicContact ND1-OD1 3.12Å; H960-D967 PolarHBondContact ND1-OD1 3.37Å
961R87Confident91Very high63 Ų6338.4 Ų38.424%0.23820%0.2CC..SBendtrans-77.7-23.7180-57.2-62.7177.5169.5-3.8113.5V111 S395 H396 L397 P398 T399 F400 S401 A959V111-R961 HydrophobicContact CG1-CB 3.93Å; V111-R961 HydrophobicContact CG1-CG 4.46Å; S395-R961 PolarHBondContact O-NH1 3.45Å; S395-R961 PolarHBondContact O-NH2 3.33Å; H396-R961 VanDerWaalsContact C-NH1 3.29Å; H396-R961 PolarHBondContact O-NH1 3.26Å; H396-R961 VanDerWaalsContact O-NH1 3.15Å; L397-R961 PolarHBondContact O-NH1 2.67Å; P398-R961 VanDerWaalsContact O-CD 3.25Å; P398-R961 WeakPolarHBondContact O-CD 3.25Å; P398-R961 PolarHBondContact O-NH1 2.94Å; T399-R961 PolarHBondContact OG1-O 2.91Å; F400-R961 CarbonylContact C-O 3.54Å; F400-R961 WeakPolarHBondContact CA-O 3.04Å; F400-R961 WeakPolarHBondContact CB-O 3.37Å; F400-R961 PolarHBondContact N-O 2.86Å; S401-R961 PolarHBondContact N-O 2.84Å; A959-R961 PolarHBondContact O-N 2.83Å
962V85.1Confident91Very high13 Ų1334.9 Ų34.98%0.07918%0.177CC..SBendtrans-147.7162.5-176.2-67.70000107.6L115 F400 S401 F877 L881 H964L115-V962 HydrophobicContact CD1-CG2 4.42Å; F400-V962 HydrophobicContact CB-CG1 4.44Å; S401-V962 VanDerWaalsContact CB-C 3.49Å; F877-V962 HydrophobicContact CD1-CG1 4.09Å; F877-V962 HydrophobicContact CD2-CB 4.38Å; F877-V962 HydrophobicContact CD2-CG1 3.52Å; F877-V962 HydrophobicContact CE1-CG1 4.12Å; F877-V962 HydrophobicContact CE2-CG1 3.55Å; F877-V962 HydrophobicContact CG-CG1 3.8Å; F877-V962 HydrophobicContact CZ-CG1 3.87Å; L881-V962 HydrophobicContact CD2-CG2 3.94Å; V962-H964 PolarHBondContact O-N 3.28Å
963R82Confident91Very high29 Ų2927.7 Ų27.711%0.10914%0.144CC..  trans-55.2129.4-177.8-78.1-177.8-173.2-150.8-5.2112.5S402 E872 D967S402-R963 PolarHBondContact OG-NH2 2.82Å; E872-R963 VanDerWaalsContact OE1-CD 3.31Å; E872-R963 WeakPolarHBondContact OE1-CD 3.43Å; E872-R963 VanDerWaalsContact OE1-CG 3.3Å; E872-R963 WeakPolarHBondContact OE1-CG 3.44Å; E872-R963 IonicContact OE1-CZ 3.88Å; E872-R963 IonicContact OE1-NE 3.92Å; E872-R963 PolarHBondContact OE1-NE 2.91Å; E872-R963 IonicContact OE2-CZ 2.61Å; E872-R963 IonicContact OE2-NE 2.66Å; E872-R963 PolarHBondContact OE2-NE 3.01Å; E872-R963 VanDerWaalsContact OE2-NE 3.08Å; E872-R963 IonicContact OE2-NH2 2.66Å; E872-R963 PolarHBondContact OE2-NH2 3.39Å; R963-D967 VanDerWaalsContact CA-OD2 3.28Å; R963-D967 WeakPolarHBondContact CA-OD2 3.47Å
964H84.1Confident91Very high46 Ų4626.5 Ų26.521%0.21314%0.138CC..  trans-116.6159.1179.6-163.1-117.7000111.8H960 V962 E966 D967H960-H964 HydrophobicContact CB-CB 4.44Å; H960-H964 AromaticContact CE1-CG 3.86Å; H960-H964 AromaticContact CE1-ND1 3.56Å; H960-H964 WeakPolarHBondContact ND1-CB 3.3Å; H960-H964 AromaticContact NE2-CG 3.91Å; H960-H964 AromaticContact NE2-ND1 3.58Å; V962-H964 PolarHBondContact O-N 3.28Å; H964-E966 PolarHBondContact ND1-N 2.95Å; H964-E966 PolarHBondContact O-N 3.29Å; H964-D967 PolarHBondContact N-OD2 3.32Å; H964-D967 PolarHBondContact O-N 2.87Å
965S81.7Confident91.1Very high41 Ų4126.3 Ų26.329%0.28714%0.137SC..THydrogen-bonded Turntrans-69.2-15.9176.148.30000113.6D910 S911D910-S965 CarbonylContact C-O 3.6Å; S911-S965 WeakPolarHBondContact CA-O 3.28Å; S911-S965 PolarHBondContact N-O 3.48Å
966E87.7Confident91.1Very high67 Ų6722.8 Ų22.831%0.31312%0.117SC..THydrogen-bonded Turntrans-99.812.2174.3-56.6-155161.900113.9Y914 K956 H964Y914-E966 HydrophobicContact CD1-CB 4.19Å; Y914-E966 HydrophobicContact CD2-CB 4.3Å; Y914-E966 HydrophobicContact CD2-CG 4.05Å; Y914-E966 HydrophobicContact CE1-CB 3.84Å; Y914-E966 HydrophobicContact CE1-CG 4.43Å; Y914-E966 WeakPolarHBondContact CE1-O 3.39Å; Y914-E966 HydrophobicContact CE2-CB 3.95Å; Y914-E966 HydrophobicContact CE2-CG 3.61Å; Y914-E966 HydrophobicContact CG-CB 4.4Å; Y914-E966 PolarHBondContact OH-OE2 3.38Å; K956-E966 IonicContact NZ-OE2 3.25Å; K956-E966 PolarHBondContact NZ-OE2 3.09Å; K956-E966 VanDerWaalsContact NZ-OE2 3.12Å; H964-E966 PolarHBondContact ND1-N 2.95Å; H964-E966 PolarHBondContact O-N 3.29Å
967D91Very high91.2Very high0 Ų019.7 Ų19.70%010%0.103CC..  trans-67133.4-178.9-82.9-22.3000113.5S401 P403 S911 T957 H960 R963 H964 Q969S401-D967 PolarHBondContact OG-OD2 2.89Å; P403-D967 HydrophobicContact CB-CB 3.95Å; P403-D967 HydrophobicContact CG-CB 4.04Å; S911-D967 VanDerWaalsContact CB-O 3.32Å; S911-D967 WeakPolarHBondContact CB-O 3.33Å; T957-D967 HydrophobicContact CG2-CB 4.34Å; H960-D967 IonicContact CE1-OD1 3.49Å; H960-D967 IonicContact CG-OD1 2.64Å; H960-D967 IonicContact ND1-OD1 3.12Å; H960-D967 PolarHBondContact ND1-OD1 3.37Å; R963-D967 VanDerWaalsContact CA-OD2 3.28Å; R963-D967 WeakPolarHBondContact CA-OD2 3.47Å; H964-D967 PolarHBondContact N-OD2 3.32Å; H964-D967 PolarHBondContact O-N 2.87Å; D967-Q969 VanDerWaalsContact C-N 3.34Å; D967-Q969 PolarHBondContact O-N 3.5Å
968M94.8Very high91.2Very high2 Ų220 Ų201%0.0111%0.105CC..  trans-7184.5169.6-70.9-65.6-72.800111.1V915 L918 F950 E953 F954 T957 F970V915-M968 HydrophobicContact CG2-SD 3.88Å; L918-M968 HydrophobicContact CD1-SD 3.61Å; F950-M968 HydrophobicContact CB-CE 4.22Å; F950-M968 HydrophobicContact CD2-CE 4.34Å; F950-M968 HydrophobicContact CG-CE 4.39Å; E953-M968 HydrophobicContact CB-CG 3.84Å; E953-M968 HydrophobicContact CB-SD 3.86Å; F954-M968 HydrophobicContact CD1-CB 3.82Å; F954-M968 HydrophobicContact CD1-CG 4.1Å; F954-M968 HydrophobicContact CD2-CE 4.26Å; F954-M968 HydrophobicContact CE1-CB 3.54Å; F954-M968 HydrophobicContact CE1-CE 4.17Å; F954-M968 HydrophobicContact CE1-CG 4.07Å; F954-M968 HydrophobicContact CE2-CE 3.53Å; F954-M968 HydrophobicContact CG-CG 4.35Å; F954-M968 HydrophobicContact CZ-CB 4.09Å; F954-M968 HydrophobicContact CZ-CE 3.47Å; F954-M968 VanDerWaalsContact CZ-CE 3.47Å; F954-M968 HydrophobicContact CZ-CG 4.3Å; T957-M968 HydrophobicContact CG2-CB 4.2Å; T957-M968 WeakPolarHBondContact OG1-CB 3.46Å; T957-M968 WeakPolarHBondContact OG1-CG 3.47Å; T957-M968 PolarHBondContact OG1-N 2.61Å; M968-F970 PolarHBondContact O-N 3.48Å
969Q91.9Very high91.1Very high12 Ų1220.6 Ų20.66%0.05611%0.107CC..  trans-51.4111.4178.2-72.5-59.2-27.900111.8S911 L912 V915 D967 F972 S973S911-Q969 PolarHBondContact OG-NE2 3.36Å; L912-Q969 HydrophobicContact CD2-CB 4.31Å; L912-Q969 HydrophobicContact CD2-CG 4.24Å; L912-Q969 HydrophobicContact CG-CG 4.34Å; V915-Q969 HydrophobicContact CG2-CB 4.42Å; D967-Q969 VanDerWaalsContact C-N 3.34Å; D967-Q969 PolarHBondContact O-N 3.5Å; Q969-F972 HydrophobicContact CB-CB 4.13Å; Q969-F972 PolarHBondContact O-N 2.93Å; Q969-S973 VanDerWaalsContact O-CB 3.29Å; Q969-S973 WeakPolarHBondContact O-CB 3.44Å; Q969-S973 PolarHBondContact O-N 2.85Å; Q969-S973 PolarHBondContact O-OG 2.74Å
970F92.4Very high91Very high1 Ų119.8 Ų19.80%0.00410%0.099CC..Hα-helixtrans-57.9-60.8-161.1176.1-113.8000113.8E406 T407 I409 Y421 I938 M943 M968 F972 S973 Y974E406-F970 HydrophobicContact CB-CB 3.67Å; E406-F970 HydrophobicContact CB-CD1 3.97Å; E406-F970 HydrophobicContact CB-CD2 4.17Å; E406-F970 HydrophobicContact CB-CG 3.69Å; E406-F970 HydrophobicContact CG-CB 4.46Å; E406-F970 HydrophobicContact CG-CD1 4.43Å; E406-F970 WeakPolarHBondContact O-CE2 3.25Å; E406-F970 WeakPolarHBondContact OE2-CB 3.28Å; T407-F970 HydrophobicContact CG2-CD2 4.28Å; I409-F970 HydrophobicContact CD1-CE1 3.94Å; I409-F970 HydrophobicContact CD1-CZ 3.84Å; I409-F970 HydrophobicContact CG1-CZ 4.15Å; Y421-F970 HydrophobicContact CD1-CD1 4.18Å; Y421-F970 AromaticContact CD1-CE1 3.88Å; Y421-F970 HydrophobicContact CD1-CE1 3.88Å; Y421-F970 HydrophobicContact CE1-CD1 4.3Å; Y421-F970 HydrophobicContact CE1-CE1 4.38Å; Y421-F970 HydrophobicContact CG-CE1 4.4Å; I938-F970 HydrophobicContact CD1-CE1 4.01Å; I938-F970 HydrophobicContact CD1-CZ 4.07Å; I938-F970 HydrophobicContact CG1-CE1 4.07Å; I938-F970 HydrophobicContact CG1-CZ 3.95Å; I938-F970 HydrophobicContact CG2-CZ 4.36Å; M943-F970 HydrophobicContact CE-CD2 3.86Å; M943-F970 HydrophobicContact CE-CE2 3.73Å; M943-F970 HydrophobicContact CG-CE2 4.48Å; M943-F970 HydrophobicContact SD-CD2 4.15Å; M943-F970 HydrophobicContact SD-CE2 3.58Å; M943-F970 VanDerWaalsContact SD-CE2 3.58Å; M943-F970 HydrophobicContact SD-CZ 4.47Å; M968-F970 PolarHBondContact O-N 3.48Å; F970-F972 PolarHBondContact O-N 3.33Å; F970-S973 PolarHBondContact O-N 2.98Å; F970-Y974 WeakPolarHBondContact O-CB 3.29Å; F970-Y974 PolarHBondContact O-N 3.47Å
971A92.1Very high91Very high22 Ų2218.1 Ų18.118%0.1829%0.093CC..Hα-helixtrans-63.7-40.7-17800000112.5H936 Y974 F975H936-A971 VanDerWaalsContact CD2-CB 3.48Å; H936-A971 WeakPolarHBondContact CD2-CB 3.5Å; H936-A971 WeakPolarHBondContact NE2-CB 3.14Å; A971-Y974 PolarHBondContact O-N 3.27Å; A971-F975 HydrophobicContact CB-CD2 4.41Å; A971-F975 HydrophobicContact CB-CE2 4.43Å; A971-F975 WeakPolarHBondContact O-CD2 3.28Å; A971-F975 PolarHBondContact O-N 3.41Å
972F94.4Very high90.9Very high4 Ų420.8 Ų20.82%0.01811%0.108CC..Hα-helixtrans-64.3-46.7179.3-174.2-92.7000111.3V452 L912 V915 N916 L919 R928 Q969 F970 Y976V452-F972 HydrophobicContact CG2-CE2 3.46Å; V452-F972 VanDerWaalsContact CG2-CE2 3.46Å; V452-F972 HydrophobicContact CG2-CZ 3.64Å; L912-F972 HydrophobicContact CD2-CB 3.85Å; L912-F972 HydrophobicContact CD2-CD1 4.2Å; L912-F972 HydrophobicContact CD2-CD2 3.69Å; L912-F972 HydrophobicContact CD2-CE2 4.32Å; L912-F972 HydrophobicContact CD2-CG 3.64Å; V915-F972 HydrophobicContact CB-CD1 3.93Å; V915-F972 HydrophobicContact CB-CE1 4.14Å; V915-F972 HydrophobicContact CG1-CD1 3.64Å; V915-F972 HydrophobicContact CG1-CE1 3.97Å; N916-F972 HydrophobicContact CB-CE1 4.13Å; N916-F972 HydrophobicContact CB-CZ 4.12Å; L919-F972 HydrophobicContact CD1-CD1 4.41Å; L919-F972 HydrophobicContact CD1-CE1 3.96Å; R928-F972 HydrophobicContact CB-CE2 4.12Å; R928-F972 HydrophobicContact CB-CZ 3.88Å; R928-F972 HydrophobicContact CG-CZ 4.49Å; Q969-F972 HydrophobicContact CB-CB 4.13Å; Q969-F972 PolarHBondContact O-N 2.93Å; F970-F972 PolarHBondContact O-N 3.33Å; F972-Y976 HydrophobicContact CD1-CD2 4.46Å; F972-Y976 AromaticContact CD2-CD2 3.91Å; F972-Y976 HydrophobicContact CD2-CD2 3.91Å; F972-Y976 AromaticContact CD2-CE2 3.93Å; F972-Y976 HydrophobicContact CD2-CE2 3.93Å; F972-Y976 HydrophobicContact CE1-CD2 4.3Å; F972-Y976 AromaticContact CE2-CD2 3.7Å; F972-Y976 HydrophobicContact CE2-CD2 3.7Å; F972-Y976 AromaticContact CE2-CE2 3.55Å; F972-Y976 HydrophobicContact CE2-CE2 3.55Å; F972-Y976 HydrophobicContact CG-CD2 4.28Å; F972-Y976 AromaticContact CZ-CD2 3.91Å; F972-Y976 HydrophobicContact CZ-CD2 3.91Å; F972-Y976 HydrophobicContact CZ-CE2 4.08Å; F972-Y976 WeakPolarHBondContact O-CB 3.45Å; F972-Y976 WeakPolarHBondContact O-CD2 3.47Å; F972-Y976 PolarHBondContact O-N 2.79Å; F972-Y976 VanDerWaalsContact O-N 3.15Å
973S95.5Very high90.7Very high1 Ų125.1 Ų25.11%0.00713%0.127CC..Hα-helixtrans-59.2-50.1175.2-53.40000111.2V915 Q969 F970 F977V915-S973 WeakPolarHBondContact CG1-OG 3.4Å; Q969-S973 VanDerWaalsContact O-CB 3.29Å; Q969-S973 WeakPolarHBondContact O-CB 3.44Å; Q969-S973 PolarHBondContact O-N 2.85Å; Q969-S973 PolarHBondContact O-OG 2.74Å; F970-S973 PolarHBondContact O-N 2.98Å; S973-F977 WeakPolarHBondContact O-CB 3.49Å; S973-F977 PolarHBondContact O-N 3.4Å
974Y96.4Very high90.4Very high1 Ų131.9 Ų31.90%0.00416%0.16CC..Hα-helixtrans-61.5-54.1-177.6176.9-95.1000112.7I938 D939 V942 M943 F970 A971 Y976 F977 L978I938-Y974 HydrophobicContact CD1-CD1 3.57Å; I938-Y974 HydrophobicContact CD1-CD2 4.19Å; I938-Y974 HydrophobicContact CD1-CE1 3.75Å; I938-Y974 HydrophobicContact CD1-CE2 4.34Å; I938-Y974 HydrophobicContact CD1-CG 3.82Å; I938-Y974 HydrophobicContact CG2-CD2 4.17Å; I938-Y974 HydrophobicContact CG2-CE2 3.85Å; D939-Y974 PolarHBondContact N-OH 2.88Å; V942-Y974 HydrophobicContact CB-CE2 3.86Å; V942-Y974 HydrophobicContact CG1-CD2 4.35Å; V942-Y974 HydrophobicContact CG1-CE2 3.79Å; M943-Y974 HydrophobicContact CB-CD2 4.49Å; M943-Y974 HydrophobicContact SD-CD2 4.13Å; F970-Y974 WeakPolarHBondContact O-CB 3.29Å; F970-Y974 PolarHBondContact O-N 3.47Å; A971-Y974 PolarHBondContact O-N 3.27Å; Y974-Y976 PolarHBondContact O-N 3.04Å; Y974-F977 PolarHBondContact O-N 3.21Å; Y974-L978 HydrophobicContact CE1-CD1 3.99Å; Y974-L978 WeakPolarHBondContact O-CB 3.17Å; Y974-L978 PolarHBondContact O-N 2.91Å
975F95.8Very high90Very high6 Ų630.6 Ų30.63%0.02616%0.155CC..Hα-helixtrans-68.7-36.4-175.9-72.1-61.6000112.4Q444 V446 P931 H936 A971 L978 M979Q444-F975 HydrophobicContact CG-CE1 4.17Å; V446-F975 HydrophobicContact CG1-CB 4.17Å; V446-F975 HydrophobicContact CG1-CD1 4.1Å; V446-F975 HydrophobicContact CG1-CG 4.13Å; V446-F975 HydrophobicContact CG2-CD1 3.88Å; V446-F975 HydrophobicContact CG2-CE1 4.4Å; P931-F975 HydrophobicContact CB-CD2 4.03Å; P931-F975 HydrophobicContact CB-CE2 4.48Å; P931-F975 HydrophobicContact CG-CB 4.46Å; P931-F975 HydrophobicContact CG-CD2 3.9Å; H936-F975 HydrophobicContact CB-CE2 4.23Å; H936-F975 HydrophobicContact CB-CZ 4.16Å; H936-F975 AromaticContact CE1-CE2 3.8Å; H936-F975 AromaticContact CG-CE2 3.73Å; H936-F975 AromaticContact ND1-CE2 3.57Å; H936-F975 AromaticContact ND1-CZ 3.86Å; A971-F975 HydrophobicContact CB-CD2 4.41Å; A971-F975 HydrophobicContact CB-CE2 4.43Å; A971-F975 WeakPolarHBondContact O-CD2 3.28Å; A971-F975 PolarHBondContact O-N 3.41Å; F975-L978 PolarHBondContact O-N 3.24Å; F975-M979 HydrophobicContact CB-CE 4.24Å; F975-M979 WeakPolarHBondContact O-CB 3.39Å; F975-M979 WeakPolarHBondContact O-CE 3.49Å; F975-M979 VanDerWaalsContact O-CG 3.27Å; F975-M979 WeakPolarHBondContact O-CG 3.46Å; F975-M979 PolarHBondContact O-N 2.85Å
976Y95.3Very high90Very high21 Ų2132.2 Ų32.28%0.08216%0.16CC..Hα-helixtrans-76.6-30.3176.6-81.8-72000114.4L919 R928 K929 F972 Y974 M979 S980L919-Y976 HydrophobicContact CD1-CG 4.38Å; R928-Y976 HydrophobicContact CB-CE1 4.02Å; R928-Y976 HydrophobicContact CB-CE2 3.96Å; R928-Y976 VanDerWaalsContact CD-CD1 3.42Å; R928-Y976 HydrophobicContact CG-CD1 3.93Å; R928-Y976 HydrophobicContact CG-CE1 3.62Å; R928-Y976 HydrophobicContact CG-CE2 4.28Å; R928-Y976 HydrophobicContact CG-CG 4.4Å; K929-Y976 PolarHBondContact N-OH 3.02Å; K929-Y976 WeakPolarHBondContact O-CE2 3.24Å; K929-Y976 PolarHBondContact O-OH 3.49Å; K929-Y976 VanDerWaalsContact O-OH 3.12Å; F972-Y976 HydrophobicContact CD1-CD2 4.46Å; F972-Y976 AromaticContact CD2-CD2 3.91Å; F972-Y976 HydrophobicContact CD2-CD2 3.91Å; F972-Y976 AromaticContact CD2-CE2 3.93Å; F972-Y976 HydrophobicContact CD2-CE2 3.93Å; F972-Y976 HydrophobicContact CE1-CD2 4.3Å; F972-Y976 AromaticContact CE2-CD2 3.7Å; F972-Y976 HydrophobicContact CE2-CD2 3.7Å; F972-Y976 AromaticContact CE2-CE2 3.55Å; F972-Y976 HydrophobicContact CE2-CE2 3.55Å; F972-Y976 HydrophobicContact CG-CD2 4.28Å; F972-Y976 AromaticContact CZ-CD2 3.91Å; F972-Y976 HydrophobicContact CZ-CD2 3.91Å; F972-Y976 HydrophobicContact CZ-CE2 4.08Å; F972-Y976 WeakPolarHBondContact O-CB 3.45Å; F972-Y976 WeakPolarHBondContact O-CD2 3.47Å; F972-Y976 PolarHBondContact O-N 2.79Å; F972-Y976 VanDerWaalsContact O-N 3.15Å; Y974-Y976 PolarHBondContact O-N 3.04Å; Y976-M979 HydrophobicContact CD1-CE 3.6Å; Y976-M979 HydrophobicContact CD2-CE 4.29Å; Y976-M979 HydrophobicContact CE1-CE 3.48Å; Y976-M979 VanDerWaalsContact CE1-CE 3.48Å; Y976-M979 HydrophobicContact CE2-CE 4.18Å; Y976-M979 HydrophobicContact CG-CE 4Å; Y976-M979 PolarHBondContact O-N 2.71Å; Y976-S980 WeakPolarHBondContact O-CB 3.4Å; Y976-S980 PolarHBondContact O-N 2.76Å; Y976-S980 PolarHBondContact O-OG 3.46Å
977F95.4Very high89.9Confident3 Ų329.3 Ų29.31%0.01315%0.147CC..Hα-helixtrans-62.2-48.5167.4-177.7-92.7000110.6F923 V942 E945 L946 T949 S973 Y974 M979 S980 A981 Y1088F923-F977 HydrophobicContact CE2-CD2 4.11Å; F923-F977 AromaticContact CZ-CD2 3.8Å; F923-F977 HydrophobicContact CZ-CD2 3.8Å; F923-F977 AromaticContact CZ-CE2 3.92Å; F923-F977 HydrophobicContact CZ-CE2 3.92Å; V942-F977 HydrophobicContact CG1-CD1 4.03Å; V942-F977 HydrophobicContact CG1-CE1 4.37Å; E945-F977 HydrophobicContact CB-CE1 4.18Å; E945-F977 HydrophobicContact CB-CZ 4.19Å; E945-F977 HydrophobicContact CG-CE1 4.26Å; E945-F977 HydrophobicContact CG-CZ 3.86Å; L946-F977 HydrophobicContact CB-CB 4.41Å; L946-F977 HydrophobicContact CB-CD1 3.9Å; L946-F977 HydrophobicContact CB-CD2 4.23Å; L946-F977 HydrophobicContact CB-CE1 4.24Å; L946-F977 HydrophobicContact CB-CG 3.91Å; L946-F977 HydrophobicContact CD1-CB 3.91Å; L946-F977 HydrophobicContact CD1-CD2 3.91Å; L946-F977 HydrophobicContact CD1-CG 3.96Å; L946-F977 HydrophobicContact CD2-CB 4.39Å; L946-F977 HydrophobicContact CG-CB 4.46Å; L946-F977 HydrophobicContact CG-CG 4.4Å; T949-F977 HydrophobicContact CG2-CE2 4.23Å; T949-F977 WeakPolarHBondContact OG1-CE2 3.31Å; S973-F977 WeakPolarHBondContact O-CB 3.49Å; S973-F977 PolarHBondContact O-N 3.4Å; Y974-F977 PolarHBondContact O-N 3.21Å; F977-M979 VanDerWaalsContact C-N 3.29Å; F977-M979 PolarHBondContact O-N 3.28Å; F977-S980 PolarHBondContact O-N 3.24Å; F977-A981 HydrophobicContact CD1-CB 4.49Å; F977-A981 HydrophobicContact CE1-CB 4.22Å; F977-A981 HydrophobicContact CZ-CB 4.26Å; F977-A981 WeakPolarHBondContact O-CB 3.33Å; F977-A981 PolarHBondContact O-N 3.39Å; F977-Y1088 HydrophobicContact CE1-CE2 4.4Å
978L94.6Very high89.7Confident6 Ų630.2 Ų30.23%0.03115%0.153CC..Hα-helixtrans-56.4-42.5176.2-169.5157.1000112Q444 V942 Y974 F975 Y1088 F1090Q444-L978 HydrophobicContact CB-CD1 3.94Å; Q444-L978 HydrophobicContact CB-CD2 3.99Å; Q444-L978 HydrophobicContact CG-CD1 3.89Å; Q444-L978 HydrophobicContact CG-CD2 4.47Å; V942-L978 HydrophobicContact CG1-CB 4.29Å; V942-L978 HydrophobicContact CG1-CD1 4.42Å; Y974-L978 HydrophobicContact CE1-CD1 3.99Å; Y974-L978 WeakPolarHBondContact O-CB 3.17Å; Y974-L978 PolarHBondContact O-N 2.91Å; F975-L978 PolarHBondContact O-N 3.24Å; L978-Y1088 HydrophobicContact CG-CD2 4.36Å; L978-Y1088 HydrophobicContact CG-CG 4.17Å; L978-F1090 HydrophobicContact CD2-CB 3.94Å; L978-F1090 HydrophobicContact CD2-CD1 4.33Å
979M92.6Very high89.3Confident17 Ų1733.5 Ų33.58%0.08417%0.171CC..Hα-helixtrans-78-23.9-179.9-69.9-174.5-70.100115V446 F975 Y976 F977 F1090 I1092V446-M979 HydrophobicContact CB-SD 4.4Å; V446-M979 HydrophobicContact CG1-CE 4.06Å; V446-M979 HydrophobicContact CG1-SD 4.13Å; V446-M979 HydrophobicContact CG2-SD 4.25Å; F975-M979 HydrophobicContact CB-CE 4.24Å; F975-M979 WeakPolarHBondContact O-CB 3.39Å; F975-M979 WeakPolarHBondContact O-CE 3.49Å; F975-M979 VanDerWaalsContact O-CG 3.27Å; F975-M979 WeakPolarHBondContact O-CG 3.46Å; F975-M979 PolarHBondContact O-N 2.85Å; Y976-M979 HydrophobicContact CD1-CE 3.6Å; Y976-M979 HydrophobicContact CD2-CE 4.29Å; Y976-M979 HydrophobicContact CE1-CE 3.48Å; Y976-M979 VanDerWaalsContact CE1-CE 3.48Å; Y976-M979 HydrophobicContact CE2-CE 4.18Å; Y976-M979 HydrophobicContact CG-CE 4Å; Y976-M979 PolarHBondContact O-N 2.71Å; F977-M979 VanDerWaalsContact C-N 3.29Å; F977-M979 PolarHBondContact O-N 3.28Å; M979-F1090 VanDerWaalsContact CA-CE1 3.48Å; M979-F1090 HydrophobicContact CB-CD1 4.16Å; M979-F1090 HydrophobicContact CB-CE1 3.73Å; M979-F1090 HydrophobicContact CB-CE2 4.36Å; M979-F1090 HydrophobicContact CB-CZ 3.84Å; M979-F1090 HydrophobicContact CG-CD1 3.75Å; M979-F1090 HydrophobicContact CG-CD2 3.79Å; M979-F1090 HydrophobicContact CG-CE1 3.75Å; M979-F1090 HydrophobicContact CG-CE2 3.8Å; M979-F1090 HydrophobicContact CG-CG 3.77Å; M979-F1090 HydrophobicContact CG-CZ 3.77Å; M979-F1090 WeakPolarHBondContact O-CE1 3.45Å; M979-F1090 HydrophobicContact SD-CD2 4.03Å; M979-F1090 HydrophobicContact SD-CE2 3.92Å; M979-F1090 HydrophobicContact SD-CZ 4.35Å; M979-I1092 HydrophobicContact SD-CD1 4.48Å; M979-I1092 HydrophobicContact SD-CG1 4.44Å
980S91.3Very high89Confident22 Ų2233.2 Ų33.215%0.15417%0.17CC..Hα-helixtrans-106.8-19.2-173.8-42.20000114.1F923 Y976 F977 Q982F923-S980 WeakPolarHBondContact CD1-O 3.42Å; Y976-S980 WeakPolarHBondContact O-CB 3.4Å; Y976-S980 PolarHBondContact O-N 2.76Å; Y976-S980 PolarHBondContact O-OG 3.46Å; F977-S980 PolarHBondContact O-N 3.24Å; S980-Q982 PolarHBondContact O-N 3.12Å
981A90.1Very high88.9Confident4 Ų433.5 Ų33.53%0.03317%0.171CC..PPolyproline II helixtrans-64.8117.7178.900000110.5F977 K1087 Y1088F977-A981 HydrophobicContact CD1-CB 4.49Å; F977-A981 HydrophobicContact CE1-CB 4.22Å; F977-A981 HydrophobicContact CZ-CB 4.26Å; F977-A981 WeakPolarHBondContact O-CB 3.33Å; F977-A981 PolarHBondContact O-N 3.39Å; A981-K1087 HydrophobicContact CB-CB 4.41Å; A981-K1087 VanDerWaalsContact O-CB 3.26Å; A981-K1087 WeakPolarHBondContact O-CB 3.42Å; A981-K1087 PolarHBondContact O-N 3.22Å; A981-Y1088 HydrophobicContact CB-CD2 4.25Å; A981-Y1088 HydrophobicContact CB-CE2 4.2Å
982Q84.8Confident88.7Confident119 Ų11935.6 Ų35.656%0.55618%0.179SC*.EExtended strand (participates in β ladder)trans-96.2143.3178.8-72.2172.1-17.300111S980 D1084 Q1085S980-Q982 PolarHBondContact O-N 3.12Å; Q982-D1084 HydrophobicContact CB-CB 4.36Å; Q982-Q1085 CarbonylContact C-O 3.59Å; Q982-Q1085 WeakPolarHBondContact CA-O 3.25Å
983Q81.6Confident88.3Confident103 Ų10340.1 Ų40.148%0.48120%0.201SC..EExtended strand (participates in β ladder)trans-94.1117.9165.5-180170.7-17.500107.8L985 Q1085 K1087Q983-L985 PolarHBondContact O-N 3.05Å; Q983-Q1085 PolarHBondContact N-O 2.8Å; Q983-K1087 HydrophobicContact CB-CB 4.06Å; Q983-K1087 HydrophobicContact CB-CG 4.18Å
984Q74.4Confident88.1Confident171 Ų17140.2 Ų40.280%0.79920%0.201SC*.PPolyproline II helixtrans-56.7132175.2-72.7-170.7-13.800110.3N986 D1084Q984-N986 PolarHBondContact O-N 2.77Å; Q984-D1084 WeakPolarHBondContact CA-OD1 3.41Å
985L76.3Confident87.8Confident20 Ų2040.4 Ų40.411%0.10520%0.202CC..  trans-62.5109-178.3-171.784.8000111.8Q983 V990 I1078 H1079 F1082 D1084Q983-L985 PolarHBondContact O-N 3.05Å; L985-V990 HydrophobicContact CD1-CG2 3.77Å; L985-V990 HydrophobicContact CD2-CG2 4.19Å; L985-V990 HydrophobicContact CG-CG2 4.05Å; L985-I1078 HydrophobicContact CD2-CG2 3.9Å; L985-H1079 PolarHBondContact O-CE1 2.83Å; L985-H1079 VanDerWaalsContact O-CE1 3.22Å; L985-F1082 HydrophobicContact CD1-CB 3.76Å; L985-F1082 HydrophobicContact CD2-CB 3.57Å; L985-F1082 HydrophobicContact CD2-CG 4.45Å; L985-F1082 HydrophobicContact CG-CB 4.32Å; L985-D1084 PolarHBondContact N-OD1 3.07Å; L985-D1084 VanDerWaalsContact N-OD1 3.11Å
986N82.4Confident87.3Confident75 Ų7545 Ų4540%0.40123%0.231SC..  trans-85.4113170-177.617.4000110Q984 S988 D989 V990Q984-N986 PolarHBondContact O-N 2.77Å; N986-S988 PolarHBondContact O-N 2.89Å; N986-S988 VanDerWaalsContact O-N 3.13Å; N986-S988 WeakPolarHBondContact OD1-CB 3.22Å; N986-S988 PolarHBondContact OD1-N 3.48Å; N986-D989 WeakPolarHBondContact CB-OD2 3.4Å; N986-D989 PolarHBondContact ND2-OD1 2.72Å; N986-D989 PolarHBondContact ND2-OD2 3.5Å; N986-D989 PolarHBondContact O-N 3.03Å; N986-V990 PolarHBondContact O-N 3.09Å
987V84.9Confident86.8Confident5 Ų549.5 Ų49.53%0.0326%0.256CS..Hα-helixtrans-64.8-18.1-177.9177.20000112.7D989 F991 V1068 L1069 T1075 I1078V987-D989 VanDerWaalsContact C-N 3.25Å; V987-D989 PolarHBondContact O-N 3.4Å; V987-F991 PolarHBondContact O-N 3.38Å; V987-F991 VanDerWaalsContact O-N 3.16Å; V987-V1068 HydrophobicContact CG1-CG1 4.21Å; V987-L1069 HydrophobicContact CB-CD2 4.14Å; V987-L1069 HydrophobicContact CG1-CD2 4.35Å; V987-T1075 HydrophobicContact CB-CG2 4.3Å; V987-T1075 HydrophobicContact CG1-CG2 4.31Å; V987-T1075 HydrophobicContact CG2-CG2 3.87Å; V987-I1078 HydrophobicContact CG1-CD1 3.79Å; V987-I1078 HydrophobicContact CG1-CG2 4.2Å; V987-I1078 HydrophobicContact CG2-CB 4.45Å; V987-I1078 HydrophobicContact CG2-CG2 3.89Å
988S86.9Confident86.2Confident20 Ų2056.3 Ų56.314%0.1429%0.288CS..Hα-helixtrans-56.8-41.6167.4146.50000111.7N986 F991 D992 K1065N986-S988 PolarHBondContact O-N 2.89Å; N986-S988 VanDerWaalsContact O-N 3.13Å; N986-S988 WeakPolarHBondContact OD1-CB 3.22Å; N986-S988 PolarHBondContact OD1-N 3.48Å; S988-F991 WeakPolarHBondContact O-CB 3.19Å; S988-F991 PolarHBondContact O-N 2.92Å; S988-D992 PolarHBondContact O-N 3.2Å; S988-D992 VanDerWaalsContact O-N 3.12Å; S988-K1065 VanDerWaalsContact CB-CE 3.48Å; S988-K1065 WeakPolarHBondContact O-CE 3.24Å; S988-K1065 PolarHBondContact O-NZ 2.83Å; S988-K1065 WeakPolarHBondContact OG-CE 3.41Å; S988-K1065 PolarHBondContact OG-NZ 2.86Å
989D85.8Confident85.6Confident70 Ų7058 Ų5837%0.37430%0.3SS..Hα-helixtrans-87.1-26.5-166.9-49.5-10.7000109.3N986 V987 F991 D992 E993N986-D989 WeakPolarHBondContact CB-OD2 3.4Å; N986-D989 PolarHBondContact ND2-OD1 2.72Å; N986-D989 PolarHBondContact ND2-OD2 3.5Å; N986-D989 PolarHBondContact O-N 3.03Å; V987-D989 VanDerWaalsContact C-N 3.25Å; V987-D989 PolarHBondContact O-N 3.4Å; D989-F991 VanDerWaalsContact C-N 3.33Å; D989-D992 PolarHBondContact O-N 2.93Å; D989-E993 WeakPolarHBondContact O-CB 3.26Å; D989-E993 PolarHBondContact O-N 3.29Å
990V86.9Confident85Confident7 Ų758.1 Ų58.14%0.04231%0.305CS..Hα-helixtrans-65.3-34.5165.2179.70000111.9L985 N986 V994 L1010 I1078 F1082L985-V990 HydrophobicContact CD1-CG2 3.77Å; L985-V990 HydrophobicContact CD2-CG2 4.19Å; L985-V990 HydrophobicContact CG-CG2 4.05Å; N986-V990 PolarHBondContact O-N 3.09Å; V990-V994 VanDerWaalsContact O-CG2 3.32Å; V990-V994 WeakPolarHBondContact O-CG2 3.42Å; V990-V994 PolarHBondContact O-N 3.3Å; V990-L1010 HydrophobicContact CG1-CD1 4.49Å; V990-I1078 HydrophobicContact CB-CG2 4.21Å; V990-I1078 HydrophobicContact CG1-CG2 3.88Å; V990-I1078 HydrophobicContact CG2-CG2 4.12Å; V990-F1082 HydrophobicContact CG1-CD1 4.26Å; V990-F1082 HydrophobicContact CG1-CD2 4.24Å; V990-F1082 HydrophobicContact CG1-CE1 3.68Å; V990-F1082 HydrophobicContact CG1-CE2 3.67Å; V990-F1082 HydrophobicContact CG1-CZ 3.34Å; V990-F1082 HydrophobicContact CG2-CD1 4.1Å; V990-F1082 HydrophobicContact CG2-CE1 4.22Å; V990-F1082 HydrophobicContact CG2-CG 4.39Å
991F89.6Confident84.8Confident6 Ų658.1 Ų58.13%0.02631%0.305CS..Hα-helixtrans-65.8-49.7171.9-174.4-79.7000110.3V987 S988 D989 E993 V994 D995 L1002 V1063 K1065 V1068V987-F991 PolarHBondContact O-N 3.38Å; V987-F991 VanDerWaalsContact O-N 3.16Å; S988-F991 WeakPolarHBondContact O-CB 3.19Å; S988-F991 PolarHBondContact O-N 2.92Å; D989-F991 VanDerWaalsContact C-N 3.33Å; F991-E993 PolarHBondContact O-N 3.19Å; F991-V994 CarbonylContact O-C 3.57Å; F991-V994 PolarHBondContact O-N 3.11Å; F991-D995 HydrophobicContact CD1-CB 4.05Å; F991-D995 HydrophobicContact CE1-CB 3.81Å; F991-D995 WeakPolarHBondContact O-CB 3.16Å; F991-D995 PolarHBondContact O-N 3.04Å; F991-L1002 HydrophobicContact CD2-CD1 4.13Å; F991-L1002 HydrophobicContact CD2-CD2 4.29Å; F991-L1002 HydrophobicContact CD2-CG 4.18Å; F991-L1002 HydrophobicContact CE1-CD2 4.09Å; F991-L1002 HydrophobicContact CE2-CD1 3.88Å; F991-L1002 HydrophobicContact CE2-CD2 3.82Å; F991-L1002 HydrophobicContact CE2-CG 3.51Å; F991-L1002 HydrophobicContact CZ-CD2 3.7Å; F991-L1002 HydrophobicContact CZ-CG 3.75Å; F991-V1063 WeakPolarHBondContact CE2-O 3.29Å; F991-K1065 HydrophobicContact CB-CG 4.15Å; F991-K1065 HydrophobicContact CD1-CB 3.73Å; F991-K1065 HydrophobicContact CD1-CD 3.92Å; F991-K1065 HydrophobicContact CD1-CG 3.76Å; F991-K1065 HydrophobicContact CD2-CB 4.19Å; F991-K1065 HydrophobicContact CD2-CG 4.35Å; F991-K1065 HydrophobicContact CE1-CB 3.7Å; F991-K1065 HydrophobicContact CE1-CG 4.27Å; F991-K1065 VanDerWaalsContact CE2-CA 3.47Å; F991-K1065 HydrophobicContact CE2-CB 4.15Å; F991-K1065 VanDerWaalsContact CE2-N 3.34Å; F991-K1065 HydrophobicContact CG-CB 3.99Å; F991-K1065 HydrophobicContact CG-CD 4.36Å; F991-K1065 HydrophobicContact CG-CG 3.82Å; F991-K1065 HydrophobicContact CZ-CB 3.93Å; F991-K1065 VanDerWaalsContact CZ-N 3.26Å; F991-V1068 HydrophobicContact CD2-CB 4.02Å; F991-V1068 HydrophobicContact CD2-CG1 4.44Å; F991-V1068 HydrophobicContact CD2-CG2 3.83Å; F991-V1068 HydrophobicContact CE2-CB 4.49Å; F991-V1068 HydrophobicContact CE2-CG2 3.92Å
992D87.8Confident84.7Confident66 Ų6658 Ų5835%0.35330%0.304SS..Hα-helixtrans-65.8-23.5-177.7-61-15.4000113.7S988 D989 K1065S988-D992 PolarHBondContact O-N 3.2Å; S988-D992 VanDerWaalsContact O-N 3.12Å; D989-D992 PolarHBondContact O-N 2.93Å; D992-K1065 WeakPolarHBondContact OD1-CD 3.14Å; D992-K1065 VanDerWaalsContact OD1-CE 3.32Å; D992-K1065 WeakPolarHBondContact OD1-CE 3.3Å; D992-K1065 IonicContact OD1-NZ 2.67Å; D992-K1065 PolarHBondContact OD1-NZ 2.8Å; D992-K1065 IonicContact OD2-NZ 2.68Å; D992-K1065 PolarHBondContact OD2-NZ 2.75Å
993E87.3Confident84.9Confident100 Ų10053.1 Ų53.147%0.46728%0.282SS..THydrogen-bonded Turntrans-80.7-15.8173-153.4-139.9138.900113.3D989 F991 R1013D989-E993 WeakPolarHBondContact O-CB 3.26Å; D989-E993 PolarHBondContact O-N 3.29Å; F991-E993 PolarHBondContact O-N 3.19Å; E993-R1013 IonicContact OE1-CZ 3.44Å; E993-R1013 VanDerWaalsContact OE1-CZ 3.25Å; E993-R1013 IonicContact OE1-NH1 3.79Å; E993-R1013 PolarHBondContact OE1-NH1 2.67Å; E993-R1013 IonicContact OE1-NH2 2.78Å; E993-R1013 PolarHBondContact OE1-NH2 2.82Å; E993-R1013 IonicContact OE2-CZ 2.92Å; E993-R1013 IonicContact OE2-NH1 2.63Å; E993-R1013 PolarHBondContact OE2-NH1 3.28Å; E993-R1013 IonicContact OE2-NH2 3.58Å
994V90.2Very high85.2Confident2 Ų249.8 Ų49.81%0.01227%0.268CS..THydrogen-bonded Turntrans-105.6-27.7-179.4170.80000111.9V990 F991 T996 L1002 E1006 L1010V990-V994 VanDerWaalsContact O-CG2 3.32Å; V990-V994 WeakPolarHBondContact O-CG2 3.42Å; V990-V994 PolarHBondContact O-N 3.3Å; F991-V994 CarbonylContact O-C 3.57Å; F991-V994 PolarHBondContact O-N 3.11Å; V994-T996 VanDerWaalsContact C-N 3.31Å; V994-T996 PolarHBondContact O-N 2.73Å; V994-L1002 HydrophobicContact CG1-CD1 4.04Å; V994-L1002 HydrophobicContact CG1-CD2 4.06Å; V994-E1006 HydrophobicContact CG1-CB 4.03Å; V994-E1006 WeakPolarHBondContact CG1-O 3.48Å; V994-E1006 WeakPolarHBondContact O-CB 3.37Å; V994-E1006 WeakPolarHBondContact O-CG 3.39Å; V994-L1010 HydrophobicContact CG1-CB 4.15Å; V994-L1010 HydrophobicContact CG2-CD1 4.45Å
995D89.3Confident85.8Confident6 Ų651.6 Ų51.63%0.03227%0.267CS..  trans-73.780.5166.8-179.30.2000109.1F991 H998 S999 G1000 L1002F991-D995 HydrophobicContact CD1-CB 4.05Å; F991-D995 HydrophobicContact CE1-CB 3.81Å; F991-D995 WeakPolarHBondContact O-CB 3.16Å; F991-D995 PolarHBondContact O-N 3.04Å; D995-H998 PolarHBondContact O-CE1 3.43Å; D995-H998 PolarHBondContact O-N 2.81Å; D995-H998 PolarHBondContact O-ND1 3.36Å; D995-H998 WeakPolarHBondContact OD1-CA 3.28Å; D995-H998 PolarHBondContact OD1-N 2.97Å; D995-S999 PolarHBondContact OD1-N 2.88Å; D995-G1000 WeakPolarHBondContact OD2-CA 3.26Å; D995-G1000 PolarHBondContact OD2-N 3.07Å; D995-L1002 HydrophobicContact CB-CD2 3.79Å
996T86.3Confident86.5Confident103 Ų10351.1 Ų51.163%0.63227%0.265SS*.THydrogen-bonded Turntrans-79.6-17-167.661.10000114.4V994 E1006V994-T996 VanDerWaalsContact C-N 3.31Å; V994-T996 PolarHBondContact O-N 2.73Å; T996-E1006 WeakPolarHBondContact CA-OE1 3.5Å; T996-E1006 WeakPolarHBondContact CB-OE1 3.41Å; T996-E1006 PolarHBondContact N-OE1 3.34Å; T996-E1006 PolarHBondContact OG1-OE1 3.05Å
997D83.9Confident86.8Confident114 Ų11447.8 Ų47.861%0.6125%0.247SC*.THydrogen-bonded Turntrans-100.5-1.2169.575.32000113.9S999D997-S999 VanDerWaalsContact C-N 3.26Å; D997-S999 PolarHBondContact O-N 3.41Å; D997-S999 WeakPolarHBondContact OD1-CB 3.43Å; D997-S999 PolarHBondContact OD1-N 3.41Å; D997-S999 VanDerWaalsContact OD1-N 3.14Å; D997-S999 PolarHBondContact OD1-OG 3.15Å
998H84.1Confident87.1Confident146 Ų14653.8 Ų53.868%0.67627%0.269SS*.  trans58.235-179.9-57.8-26.6000113.1D995 G1000D995-H998 PolarHBondContact O-CE1 3.43Å; D995-H998 PolarHBondContact O-N 2.81Å; D995-H998 PolarHBondContact O-ND1 3.36Å; D995-H998 WeakPolarHBondContact OD1-CA 3.28Å; D995-H998 PolarHBondContact OD1-N 2.97Å; H998-G1000 VanDerWaalsContact C-N 3.33Å
999S82.2Confident87.2Confident42 Ų4255.5 Ų55.529%0.29428%0.278SS..  trans-77.5-15.6177.7590000113.7D995 D997 V1001 V1048D995-S999 PolarHBondContact OD1-N 2.88Å; D997-S999 VanDerWaalsContact C-N 3.26Å; D997-S999 PolarHBondContact O-N 3.41Å; D997-S999 WeakPolarHBondContact OD1-CB 3.43Å; D997-S999 PolarHBondContact OD1-N 3.41Å; D997-S999 VanDerWaalsContact OD1-N 3.14Å; D997-S999 PolarHBondContact OD1-OG 3.15Å; S999-V1001 VanDerWaalsContact C-N 3.32Å; S999-V1001 PolarHBondContact OG-O 3.48Å; S999-V1001 VanDerWaalsContact OG-O 3.11Å; S999-V1048 VanDerWaalsContact O-CG2 3.27Å; S999-V1048 WeakPolarHBondContact O-CG2 3.06Å
1000G80.1Confident87.4Confident19 Ų1952.5 Ų52.520%0.19626%0.262CS..SBendtrans83.24.9-177.300000114.5D995 H998 T1064D995-G1000 WeakPolarHBondContact OD2-CA 3.26Å; D995-G1000 PolarHBondContact OD2-N 3.07Å; H998-G1000 VanDerWaalsContact C-N 3.33Å; G1000-T1064 WeakPolarHBondContact O-CA 3.16Å
1001V86.6Confident87.6Confident23 Ų2352.2 Ų52.214%0.13926%0.26CS..EExtended strand (participates in β ladder)trans-139.6128.8-177.5-174.10000108.4S999 Y1055 P1062 V1063 T1064S999-V1001 VanDerWaalsContact C-N 3.32Å; S999-V1001 PolarHBondContact OG-O 3.48Å; S999-V1001 VanDerWaalsContact OG-O 3.11Å; V1001-Y1055 WeakPolarHBondContact CG1-OH 3.33Å; V1001-P1062 HydrophobicContact CG1-CB 4.03Å; V1001-V1063 WeakPolarHBondContact CA-O 3.46Å; V1001-T1064 HydrophobicContact CG2-CG2 4.32Å
1002L88.1Confident87.6Confident2 Ų254.5 Ų54.51%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-80.7131179.3-54.8-175.3000112F991 V994 D995 E1006 I1007 L1010 Y1055 V1063F991-L1002 HydrophobicContact CD2-CD1 4.13Å; F991-L1002 HydrophobicContact CD2-CD2 4.29Å; F991-L1002 HydrophobicContact CD2-CG 4.18Å; F991-L1002 HydrophobicContact CE1-CD2 4.09Å; F991-L1002 HydrophobicContact CE2-CD1 3.88Å; F991-L1002 HydrophobicContact CE2-CD2 3.82Å; F991-L1002 HydrophobicContact CE2-CG 3.51Å; F991-L1002 HydrophobicContact CZ-CD2 3.7Å; F991-L1002 HydrophobicContact CZ-CG 3.75Å; V994-L1002 HydrophobicContact CG1-CD1 4.04Å; V994-L1002 HydrophobicContact CG1-CD2 4.06Å; D995-L1002 HydrophobicContact CB-CD2 3.79Å; L1002-E1006 HydrophobicContact CB-CB 4.25Å; L1002-E1006 HydrophobicContact CD2-CB 4.35Å; L1002-I1007 HydrophobicContact CB-CG1 3.84Å; L1002-L1010 HydrophobicContact CD1-CD2 4.35Å; L1002-Y1055 WeakPolarHBondContact O-CE1 3.3Å; L1002-Y1055 PolarHBondContact O-OH 3.47Å; L1002-V1063 HydrophobicContact CB-CB 4.2Å; L1002-V1063 HydrophobicContact CB-CG1 4.14Å; L1002-V1063 HydrophobicContact CD1-CG1 4.1Å; L1002-V1063 HydrophobicContact CG-CG1 4.17Å; L1002-V1063 PolarHBondContact N-O 3.18Å
1003S88.3Confident87.5Confident15 Ų1555.8 Ų55.811%0.10528%0.275CS..  trans-74.6165.8170.369.40000113R1005 E1006 I1007 E1053S1003-R1005 PolarHBondContact O-N 3.45Å; S1003-R1005 PolarHBondContact OG-N 3.28Å; S1003-E1006 VanDerWaalsContact CB-OE2 3.23Å; S1003-E1006 WeakPolarHBondContact CB-OE2 3.21Å; S1003-E1006 PolarHBondContact N-OE2 2.84Å; S1003-E1006 PolarHBondContact O-N 2.7Å; S1003-E1006 WeakPolarHBondContact OG-CG 3.47Å; S1003-E1006 PolarHBondContact OG-N 2.92Å; S1003-E1006 PolarHBondContact OG-OE2 3.2Å; S1003-I1007 WeakPolarHBondContact O-CB 3.5Å; S1003-I1007 VanDerWaalsContact O-CG1 3.29Å; S1003-I1007 WeakPolarHBondContact O-CG1 3.38Å; S1003-I1007 PolarHBondContact O-N 3.28Å; S1003-E1053 WeakPolarHBondContact CA-OE1 3.2Å; S1003-E1053 VanDerWaalsContact CA-OE2 3.31Å; S1003-E1053 WeakPolarHBondContact CA-OE2 3.43Å; S1003-E1053 WeakPolarHBondContact CB-OE1 3.28Å
1004D87.4Confident87.7Confident34 Ų3451.7 Ų51.718%0.18226%0.256CS..Hα-helixtrans-53.3-28.9171.5-84.3-33.6000113.1R1008 Y1055 Y1056D1004-R1008 VanDerWaalsContact O-CB 3.26Å; D1004-R1008 WeakPolarHBondContact O-CB 3.44Å; D1004-R1008 PolarHBondContact O-N 2.97Å; D1004-R1008 VanDerWaalsContact O-N 3.09Å; D1004-Y1055 WeakPolarHBondContact OD1-CD1 3.08Å; D1004-Y1055 VanDerWaalsContact OD2-CA 3.29Å; D1004-Y1055 WeakPolarHBondContact OD2-CA 3.05Å; D1004-Y1056 HydrophobicContact CB-CD2 4.12Å; D1004-Y1056 HydrophobicContact CB-CE2 4.29Å; D1004-Y1056 WeakPolarHBondContact OD2-CD2 3.28Å; D1004-Y1056 PolarHBondContact OD2-N 3.21Å
1005R87.6Confident87.5Confident208 Ų20853.3 Ų53.379%0.78526%0.264SS*.Hα-helixtrans-75.7-34.9179.1-59.6176.6-174.7161.44.6111.5S1003 T1009S1003-R1005 PolarHBondContact O-N 3.45Å; S1003-R1005 PolarHBondContact OG-N 3.28Å; R1005-T1009 WeakPolarHBondContact O-CB 3.41Å; R1005-T1009 PolarHBondContact O-N 3.29Å; R1005-T1009 PolarHBondContact O-OG1 3.1Å
1006E90.8Very high87.2Confident11 Ų1159.7 Ų59.75%0.05129%0.293CS..Hα-helixtrans-86-34.5-178.1-69158.7138.500111.2V994 T996 L1002 S1003 R1008 T1009 L1010V994-E1006 HydrophobicContact CG1-CB 4.03Å; V994-E1006 WeakPolarHBondContact CG1-O 3.48Å; V994-E1006 WeakPolarHBondContact O-CB 3.37Å; V994-E1006 WeakPolarHBondContact O-CG 3.39Å; T996-E1006 WeakPolarHBondContact CA-OE1 3.5Å; T996-E1006 WeakPolarHBondContact CB-OE1 3.41Å; T996-E1006 PolarHBondContact N-OE1 3.34Å; T996-E1006 PolarHBondContact OG1-OE1 3.05Å; L1002-E1006 HydrophobicContact CB-CB 4.25Å; L1002-E1006 HydrophobicContact CD2-CB 4.35Å; S1003-E1006 VanDerWaalsContact CB-OE2 3.23Å; S1003-E1006 WeakPolarHBondContact CB-OE2 3.21Å; S1003-E1006 PolarHBondContact N-OE2 2.84Å; S1003-E1006 PolarHBondContact O-N 2.7Å; S1003-E1006 WeakPolarHBondContact OG-CG 3.47Å; S1003-E1006 PolarHBondContact OG-N 2.92Å; S1003-E1006 PolarHBondContact OG-OE2 3.2Å; E1006-R1008 VanDerWaalsContact C-N 3.3Å; E1006-R1008 PolarHBondContact O-N 3.37Å; E1006-T1009 CarbonylContact O-C 3.57Å; E1006-T1009 WeakPolarHBondContact O-CA 3.39Å; E1006-T1009 WeakPolarHBondContact O-CB 3.38Å; E1006-T1009 PolarHBondContact O-N 3.24Å; E1006-L1010 WeakPolarHBondContact O-CB 3.45Å; E1006-L1010 PolarHBondContact O-N 3.02Å
1007I89.8Confident87Confident4 Ų460.5 Ų60.52%0.02129%0.293CS..Hα-helixtrans-58.6-43.4164.7-64.7164.5000110L1002 S1003 T1009 L1010 A1011 L1027 L1031 Y1055 M1060 V1063L1002-I1007 HydrophobicContact CB-CG1 3.84Å; S1003-I1007 WeakPolarHBondContact O-CB 3.5Å; S1003-I1007 VanDerWaalsContact O-CG1 3.29Å; S1003-I1007 WeakPolarHBondContact O-CG1 3.38Å; S1003-I1007 PolarHBondContact O-N 3.28Å; I1007-T1009 VanDerWaalsContact C-N 3.32Å; I1007-T1009 PolarHBondContact O-N 3Å; I1007-L1010 PolarHBondContact O-N 3.28Å; I1007-A1011 WeakPolarHBondContact O-CB 3.45Å; I1007-A1011 PolarHBondContact O-N 3.2Å; I1007-L1027 HydrophobicContact CG2-CD2 4.23Å; I1007-L1031 HydrophobicContact CG2-CD1 4.21Å; I1007-Y1055 HydrophobicContact CD1-CD1 4.48Å; I1007-Y1055 HydrophobicContact CD1-CE1 3.96Å; I1007-M1060 HydrophobicContact CD1-CE 3.47Å; I1007-M1060 VanDerWaalsContact CD1-CE 3.47Å; I1007-V1063 HydrophobicContact CD1-CB 4.39Å; I1007-V1063 HydrophobicContact CD1-CG2 3.86Å
1008R89.5Confident86.9Confident132 Ų13261 Ų6150%0.49830%0.303SS..Hα-helixtrans-64-36171.8-173.3179.7-171.2908.9112.5D1004 E1006 A1011 T1012 L1019 L1024D1004-R1008 VanDerWaalsContact O-CB 3.26Å; D1004-R1008 WeakPolarHBondContact O-CB 3.44Å; D1004-R1008 PolarHBondContact O-N 2.97Å; D1004-R1008 VanDerWaalsContact O-N 3.09Å; E1006-R1008 VanDerWaalsContact C-N 3.3Å; E1006-R1008 PolarHBondContact O-N 3.37Å; R1008-A1011 WeakPolarHBondContact O-CB 3.4Å; R1008-A1011 PolarHBondContact O-N 3.25Å; R1008-T1012 PolarHBondContact O-N 2.9Å; R1008-L1019 HydrophobicContact CG-CD1 4.47Å; R1008-L1024 HydrophobicContact CB-CD2 4.33Å; R1008-L1024 HydrophobicContact CG-CD2 4.13Å
1009T90.1Very high87Confident55 Ų5555.4 Ų55.434%0.33728%0.277SS..Hα-helixtrans-68.3-43176.9-59.80000111R1005 E1006 I1007 A1011 T1012 R1013R1005-T1009 WeakPolarHBondContact O-CB 3.41Å; R1005-T1009 PolarHBondContact O-N 3.29Å; R1005-T1009 PolarHBondContact O-OG1 3.1Å; E1006-T1009 CarbonylContact O-C 3.57Å; E1006-T1009 WeakPolarHBondContact O-CA 3.39Å; E1006-T1009 WeakPolarHBondContact O-CB 3.38Å; E1006-T1009 PolarHBondContact O-N 3.24Å; I1007-T1009 VanDerWaalsContact C-N 3.32Å; I1007-T1009 PolarHBondContact O-N 3Å; T1009-A1011 VanDerWaalsContact C-N 3.34Å; T1009-A1011 PolarHBondContact O-N 3.48Å; T1009-T1012 WeakPolarHBondContact CA-OG1 3.41Å; T1009-T1012 PolarHBondContact O-N 2.92Å; T1009-T1012 PolarHBondContact O-OG1 3.3Å; T1009-R1013 PolarHBondContact O-N 2.93Å
1010L90.3Very high87.3Confident8 Ų855.7 Ų55.74%0.04228%0.279CS..Hα-helixtrans-58.6-45.3169.9-174.961.3000111.3V990 V994 L1002 E1006 I1007 T1012 R1013 I1014 I1078 F1082V990-L1010 HydrophobicContact CG1-CD1 4.49Å; V994-L1010 HydrophobicContact CG1-CB 4.15Å; V994-L1010 HydrophobicContact CG2-CD1 4.45Å; L1002-L1010 HydrophobicContact CD1-CD2 4.35Å; E1006-L1010 WeakPolarHBondContact O-CB 3.45Å; E1006-L1010 PolarHBondContact O-N 3.02Å; I1007-L1010 PolarHBondContact O-N 3.28Å; L1010-T1012 VanDerWaalsContact C-N 3.34Å; L1010-T1012 PolarHBondContact O-N 3.3Å; L1010-R1013 PolarHBondContact O-N 3.27Å; L1010-I1014 HydrophobicContact CD1-CG2 4.06Å; L1010-I1014 HydrophobicContact CG-CD1 4.22Å; L1010-I1014 HydrophobicContact CG-CG2 4.49Å; L1010-I1014 PolarHBondContact O-N 3.07Å; L1010-I1078 HydrophobicContact CD1-CD1 4.27Å; L1010-I1078 HydrophobicContact CD1-CG1 4.26Å; L1010-F1082 HydrophobicContact CD1-CE2 4.4Å
1011A89.7Confident87.6Confident0 Ų061.2 Ų61.20%030%0.304CS..Hα-helixtrans-56.2-46.4175.500000111.6I1007 R1008 T1009 R1013 I1014 H1015 L1019 L1024 L1027I1007-A1011 WeakPolarHBondContact O-CB 3.45Å; I1007-A1011 PolarHBondContact O-N 3.2Å; R1008-A1011 WeakPolarHBondContact O-CB 3.4Å; R1008-A1011 PolarHBondContact O-N 3.25Å; T1009-A1011 VanDerWaalsContact C-N 3.34Å; T1009-A1011 PolarHBondContact O-N 3.48Å; A1011-R1013 PolarHBondContact O-N 3.02Å; A1011-R1013 VanDerWaalsContact O-N 3.13Å; A1011-I1014 PolarHBondContact O-N 3.38Å; A1011-H1015 PolarHBondContact O-N 3.27Å; A1011-L1019 HydrophobicContact CB-CD1 3.87Å; A1011-L1019 HydrophobicContact CB-CD2 4.35Å; A1011-L1024 HydrophobicContact CB-CD2 3.6Å; A1011-L1027 HydrophobicContact CB-CD2 3.83Å
1012T89.5Confident87.6Confident55 Ų5567.8 Ų67.834%0.33733%0.333SS..Hα-helixtrans-62.9-17.2176.554.20000114.7R1008 T1009 L1010 L1017 L1019R1008-T1012 PolarHBondContact O-N 2.9Å; T1009-T1012 WeakPolarHBondContact CA-OG1 3.41Å; T1009-T1012 PolarHBondContact O-N 2.92Å; T1009-T1012 PolarHBondContact O-OG1 3.3Å; L1010-T1012 VanDerWaalsContact C-N 3.34Å; L1010-T1012 PolarHBondContact O-N 3.3Å; T1012-L1017 HydrophobicContact CG2-CD2 4Å; T1012-L1019 HydrophobicContact CG2-CD1 3.5Å; T1012-L1019 HydrophobicContact CG2-CG 4.01Å
1013R87.1Confident87.5Confident92 Ų9269.6 Ų69.635%0.34734%0.343SS..Hα-helixtrans-95.2-26.3175.9-65.5179179.4-141.77.9113.3E993 T1009 L1010 A1011 A1081 F1082E993-R1013 IonicContact OE1-CZ 3.44Å; E993-R1013 VanDerWaalsContact OE1-CZ 3.25Å; E993-R1013 IonicContact OE1-NH1 3.79Å; E993-R1013 PolarHBondContact OE1-NH1 2.67Å; E993-R1013 IonicContact OE1-NH2 2.78Å; E993-R1013 PolarHBondContact OE1-NH2 2.82Å; E993-R1013 IonicContact OE2-CZ 2.92Å; E993-R1013 IonicContact OE2-NH1 2.63Å; E993-R1013 PolarHBondContact OE2-NH1 3.28Å; E993-R1013 IonicContact OE2-NH2 3.58Å; T1009-R1013 PolarHBondContact O-N 2.93Å; L1010-R1013 PolarHBondContact O-N 3.27Å; A1011-R1013 PolarHBondContact O-N 3.02Å; A1011-R1013 VanDerWaalsContact O-N 3.13Å; R1013-A1081 WeakPolarHBondContact O-CB 3.42Å; R1013-F1082 HydrophobicContact CB-CE2 3.91Å; R1013-F1082 HydrophobicContact CB-CZ 3.81Å; R1013-F1082 HydrophobicContact CG-CZ 4.29Å
1014I90Very high87.4Confident15 Ų1569.6 Ų69.68%0.07734%0.341CS..Hα-helixtrans-108.2-1-175.877.5-176.4000115.6L1010 A1011 L1027 K1077 I1078 A1081 F1082L1010-I1014 HydrophobicContact CD1-CG2 4.06Å; L1010-I1014 HydrophobicContact CG-CD1 4.22Å; L1010-I1014 HydrophobicContact CG-CG2 4.49Å; L1010-I1014 PolarHBondContact O-N 3.07Å; A1011-I1014 PolarHBondContact O-N 3.38Å; I1014-L1027 HydrophobicContact CD1-CD1 3.87Å; I1014-L1027 HydrophobicContact CD1-CD2 4.09Å; I1014-K1077 HydrophobicContact CD1-CB 4.38Å; I1014-I1078 HydrophobicContact CG2-CG1 4.11Å; I1014-A1081 HydrophobicContact CB-CB 4Å; I1014-A1081 HydrophobicContact CG2-CB 4.04Å; I1014-F1082 HydrophobicContact CG2-CD2 4.26Å; I1014-F1082 HydrophobicContact CG2-CE2 3.8Å
1015H87.5Confident87.4Confident36 Ų3670.8 Ų70.817%0.16735%0.35CS..SBendtrans-127.5155.7171.7-74.5-107.8000110.3A1011 L1019 D1023 K1077A1011-H1015 PolarHBondContact O-N 3.27Å; H1015-L1019 HydrophobicContact CB-CD2 3.63Å; H1015-D1023 HydrophobicContact CB-CB 4.24Å; H1015-D1023 IonicContact CE1-OD1 3.35Å; H1015-D1023 PolarHBondContact CE1-OD1 2.96Å; H1015-D1023 IonicContact CG-OD1 3.65Å; H1015-D1023 WeakPolarHBondContact ND1-CB 3.17Å; H1015-D1023 IonicContact ND1-OD1 2.69Å; H1015-D1023 PolarHBondContact ND1-OD1 2.79Å; H1015-K1077 PolarHBondContact CE1-NZ 3.31Å; H1015-K1077 PolarHBondContact NE2-NZ 2.97Å
1016E82.1Confident87.4Confident139 Ų13962.3 Ų62.365%0.6533%0.327SS*.PPolyproline II helixtrans-68.9153.4175.8-65.1-175.7-165.400111.4P509P509-E1016 WeakPolarHBondContact CD-OE2 3.41Å; P509-E1016 WeakPolarHBondContact CG-OE2 3.35Å
1017L83.4Confident87.4Confident121 Ų12161.9 Ų61.963%0.63433%0.325SS*.SBendtrans-103.8143-175.2-63.7-179.9000111.7T1012 L1019T1012-L1017 HydrophobicContact CG2-CD2 4Å; L1017-L1019 HydrophobicContact CD2-CD2 4.36Å; L1017-L1019 HydrophobicContact CD2-CG 4.04Å
1018P81.7Confident87.4Confident124 Ų12463.7 Ų63.781%0.80533%0.334SS*.SBendcis-79.8141.82.132.5-35.1000113.3S1020P1018-S1020 PolarHBondContact O-N 3.39Å
1019L86.2Confident87.3Confident28 Ų2861.6 Ų61.615%0.14733%0.33CS..PPolyproline II helixtrans-55.1128176.3-69.7-177.7000112.1R1008 A1011 T1012 H1015 L1017 D1023 L1024R1008-L1019 HydrophobicContact CG-CD1 4.47Å; A1011-L1019 HydrophobicContact CB-CD1 3.87Å; A1011-L1019 HydrophobicContact CB-CD2 4.35Å; T1012-L1019 HydrophobicContact CG2-CD1 3.5Å; T1012-L1019 HydrophobicContact CG2-CG 4.01Å; H1015-L1019 HydrophobicContact CB-CD2 3.63Å; L1017-L1019 HydrophobicContact CD2-CD2 4.36Å; L1017-L1019 HydrophobicContact CD2-CG 4.04Å; L1019-D1023 HydrophobicContact CD2-CB 4.23Å; L1019-L1024 HydrophobicContact CD1-CD1 4.27Å; L1019-L1024 HydrophobicContact CD1-CD2 4.09Å; L1019-L1024 HydrophobicContact CD1-CG 4.18Å
1020S87.6Confident87.3Confident48 Ų4861.1 Ų61.134%0.33632%0.324SS..PPolyproline II helixtrans-81.6166.8165.782.40000111.2P1018 Q1022 D1023P1018-S1020 PolarHBondContact O-N 3.39Å; S1020-Q1022 PolarHBondContact O-N 2.97Å; S1020-Q1022 PolarHBondContact OG-N 2.94Å; S1020-Q1022 VanDerWaalsContact OG-N 3.14Å; S1020-D1023 WeakPolarHBondContact CA-OD2 3.47Å; S1020-D1023 WeakPolarHBondContact CB-OD2 3.47Å; S1020-D1023 PolarHBondContact N-OD2 2.94Å; S1020-D1023 PolarHBondContact O-N 3.18Å; S1020-D1023 PolarHBondContact OG-N 2.86Å; S1020-D1023 PolarHBondContact OG-OD2 2.87Å
1021L85.6Confident87.2Confident136 Ų13660.9 Ų60.971%0.71232%0.323SS*.Hα-helixtrans-66-25.1171.1-173.362.3000112.2T1025L1021-T1025 HydrophobicContact CD1-CG2 4.32Å; L1021-T1025 HydrophobicContact CG-CG2 4.44Å; L1021-T1025 WeakPolarHBondContact O-CB 3.48Å; L1021-T1025 WeakPolarHBondContact O-CG2 3.32Å; L1021-T1025 PolarHBondContact O-N 2.87Å; L1021-T1025 VanDerWaalsContact O-N 3.13Å; L1021-T1025 PolarHBondContact O-OG1 2.95Å
1022Q86.5Confident87.2Confident161 Ų16161 Ų6175%0.75232%0.323SS*.Hα-helixtrans-75-29.8178.3-66.4-178.8-12.900112.2S1020 G1026S1020-Q1022 PolarHBondContact O-N 2.97Å; S1020-Q1022 PolarHBondContact OG-N 2.94Å; S1020-Q1022 VanDerWaalsContact OG-N 3.14Å; Q1022-G1026 WeakPolarHBondContact O-CA 3.38Å; Q1022-G1026 PolarHBondContact O-N 2.91Å
1023D86.3Confident87.2Confident40 Ų4062.4 Ų62.421%0.21433%0.329CS..Hα-helixtrans-67.1-46.4176.2-62.4-65.8000111.5H1015 L1019 S1020 L1027H1015-D1023 HydrophobicContact CB-CB 4.24Å; H1015-D1023 IonicContact CE1-OD1 3.35Å; H1015-D1023 PolarHBondContact CE1-OD1 2.96Å; H1015-D1023 IonicContact CG-OD1 3.65Å; H1015-D1023 WeakPolarHBondContact ND1-CB 3.17Å; H1015-D1023 IonicContact ND1-OD1 2.69Å; H1015-D1023 PolarHBondContact ND1-OD1 2.79Å; L1019-D1023 HydrophobicContact CD2-CB 4.23Å; S1020-D1023 WeakPolarHBondContact CA-OD2 3.47Å; S1020-D1023 WeakPolarHBondContact CB-OD2 3.47Å; S1020-D1023 PolarHBondContact N-OD2 2.94Å; S1020-D1023 PolarHBondContact O-N 3.18Å; S1020-D1023 PolarHBondContact OG-N 2.86Å; S1020-D1023 PolarHBondContact OG-OD2 2.87Å; D1023-L1027 PolarHBondContact O-N 2.77Å
1024L86.8Confident87.2Confident14 Ų1458.6 Ų58.67%0.07332%0.316CS..Hα-helixtrans-67.3-54.4178.9-73.7160.1000111.8R1008 A1011 L1019 G1026 L1027 E1028R1008-L1024 HydrophobicContact CB-CD2 4.33Å; R1008-L1024 HydrophobicContact CG-CD2 4.13Å; A1011-L1024 HydrophobicContact CB-CD2 3.6Å; L1019-L1024 HydrophobicContact CD1-CD1 4.27Å; L1019-L1024 HydrophobicContact CD1-CD2 4.09Å; L1019-L1024 HydrophobicContact CD1-CG 4.18Å; L1024-G1026 PolarHBondContact O-N 2.81Å; L1024-L1027 WeakPolarHBondContact O-CA 3.3Å; L1024-L1027 WeakPolarHBondContact O-CB 3.22Å; L1024-L1027 PolarHBondContact O-N 2.78Å; L1024-E1028 WeakPolarHBondContact O-CG 3.22Å; L1024-E1028 PolarHBondContact O-N 3.24Å
1025T87Confident87Confident60 Ų6059.6 Ų59.637%0.36832%0.324SS..Hα-helixtrans-63-29.9177.953.90000112.5L1021 E1028 Q1029L1021-T1025 HydrophobicContact CD1-CG2 4.32Å; L1021-T1025 HydrophobicContact CG-CG2 4.44Å; L1021-T1025 WeakPolarHBondContact O-CB 3.48Å; L1021-T1025 WeakPolarHBondContact O-CG2 3.32Å; L1021-T1025 PolarHBondContact O-N 2.87Å; L1021-T1025 VanDerWaalsContact O-N 3.13Å; L1021-T1025 PolarHBondContact O-OG1 2.95Å; T1025-E1028 WeakPolarHBondContact CA-OE2 3.34Å; T1025-Q1029 WeakPolarHBondContact O-CB 3.05Å; T1025-Q1029 VanDerWaalsContact O-CG 3.23Å; T1025-Q1029 WeakPolarHBondContact O-CG 3.33Å; T1025-Q1029 PolarHBondContact O-N 2.95Å
1026G88.9Confident86.9Confident30 Ų3064.8 Ų64.831%0.30935%0.346SS..Hα-helixtrans-64.4-42.3169.700000113.2Q1022 L1024 M1030Q1022-G1026 WeakPolarHBondContact O-CA 3.38Å; Q1022-G1026 PolarHBondContact O-N 2.91Å; L1024-G1026 PolarHBondContact O-N 2.81Å; G1026-M1030 WeakPolarHBondContact O-CG 3.47Å; G1026-M1030 PolarHBondContact O-N 2.86Å
1027L89.8Confident86.8Confident1 Ų163.5 Ų63.51%0.00535%0.348CS..Hα-helixtrans-67.2-46.2176.5-176.358.9000112.3I1007 A1011 I1014 D1023 L1024 Q1029 M1030 L1031 I1074I1007-L1027 HydrophobicContact CG2-CD2 4.23Å; A1011-L1027 HydrophobicContact CB-CD2 3.83Å; I1014-L1027 HydrophobicContact CD1-CD1 3.87Å; I1014-L1027 HydrophobicContact CD1-CD2 4.09Å; D1023-L1027 PolarHBondContact O-N 2.77Å; L1024-L1027 WeakPolarHBondContact O-CA 3.3Å; L1024-L1027 WeakPolarHBondContact O-CB 3.22Å; L1024-L1027 PolarHBondContact O-N 2.78Å; L1027-Q1029 VanDerWaalsContact C-N 3.34Å; L1027-Q1029 PolarHBondContact O-N 3.27Å; L1027-M1030 HydrophobicContact CB-CE 4.38Å; L1027-M1030 HydrophobicContact CD1-CE 3.91Å; L1027-M1030 PolarHBondContact O-N 3.03Å; L1027-M1030 VanDerWaalsContact O-N 3.13Å; L1027-L1031 HydrophobicContact CG-CD1 4.37Å; L1027-L1031 PolarHBondContact O-N 3.29Å; L1027-I1074 HydrophobicContact CD1-CD1 4.12Å; L1027-I1074 HydrophobicContact CD1-CG1 4.24Å
1028E89Confident86.6Confident43 Ų4359.4 Ų59.420%0.20133%0.327CS..Hα-helixtrans-55.8-47.1174.5-68.1152-156.200110.8L1024 T1025 M1030 L1031 I1032L1024-E1028 WeakPolarHBondContact O-CG 3.22Å; L1024-E1028 PolarHBondContact O-N 3.24Å; T1025-E1028 WeakPolarHBondContact CA-OE2 3.34Å; E1028-M1030 PolarHBondContact O-N 3.21Å; E1028-L1031 WeakPolarHBondContact O-CB 3.45Å; E1028-L1031 PolarHBondContact O-N 3.48Å; E1028-I1032 WeakPolarHBondContact O-CB 2.86Å; E1028-I1032 WeakPolarHBondContact O-CD1 3.1Å; E1028-I1032 VanDerWaalsContact O-CG1 3.26Å; E1028-I1032 WeakPolarHBondContact O-CG1 3.43Å; E1028-I1032 PolarHBondContact O-N 3Å
1029Q89.4Confident86.3Confident87 Ų8757.3 Ų57.341%0.40731%0.313SS..Hα-helixtrans-67.5-30.2176.9-70.6-62.8-43.100113.5T1025 L1027 N1033T1025-Q1029 WeakPolarHBondContact O-CB 3.05Å; T1025-Q1029 VanDerWaalsContact O-CG 3.23Å; T1025-Q1029 WeakPolarHBondContact O-CG 3.33Å; T1025-Q1029 PolarHBondContact O-N 2.95Å; L1027-Q1029 VanDerWaalsContact C-N 3.34Å; L1027-Q1029 PolarHBondContact O-N 3.27Å; Q1029-N1033 WeakPolarHBondContact O-CB 3.31Å; Q1029-N1033 VanDerWaalsContact O-CG 3.26Å; Q1029-N1033 PolarHBondContact O-N 3.2Å; Q1029-N1033 PolarHBondContact O-ND2 2.92Å
1030M88.9Confident85.3Confident45 Ų4560.6 Ų60.622%0.22234%0.335CS..Hα-helixtrans-67.3-43.1171.2-74.7-177.9-63.900111.7G1026 L1027 E1028 N1033 C1034 P1073 I1074 K1077G1026-M1030 WeakPolarHBondContact O-CG 3.47Å; G1026-M1030 PolarHBondContact O-N 2.86Å; L1027-M1030 HydrophobicContact CB-CE 4.38Å; L1027-M1030 HydrophobicContact CD1-CE 3.91Å; L1027-M1030 PolarHBondContact O-N 3.03Å; L1027-M1030 VanDerWaalsContact O-N 3.13Å; E1028-M1030 PolarHBondContact O-N 3.21Å; M1030-N1033 PolarHBondContact O-N 3.34Å; M1030-C1034 WeakPolarHBondContact O-CB 3.4Å; M1030-C1034 PolarHBondContact O-N 3.3Å; M1030-P1073 HydrophobicContact SD-CB 4.27Å; M1030-I1074 HydrophobicContact CB-CD1 4.09Å; M1030-I1074 HydrophobicContact CB-CG1 4.09Å; M1030-K1077 HydrophobicContact CE-CD 3.61Å; M1030-K1077 HydrophobicContact SD-CD 4.02Å
1031L89.3Confident84.1Confident4 Ų464.8 Ų64.82%0.02135%0.353CS..Hα-helixtrans-60.6-47.8175.5-71.5162.4000111.5I1007 L1027 E1028 N1033 C1034 S1035 M1060 V1063 L1067 I1074I1007-L1031 HydrophobicContact CG2-CD1 4.21Å; L1027-L1031 HydrophobicContact CG-CD1 4.37Å; L1027-L1031 PolarHBondContact O-N 3.29Å; E1028-L1031 WeakPolarHBondContact O-CB 3.45Å; E1028-L1031 PolarHBondContact O-N 3.48Å; L1031-N1033 VanDerWaalsContact C-N 3.31Å; L1031-N1033 PolarHBondContact O-N 3.23Å; L1031-C1034 PolarHBondContact O-N 2.88Å; L1031-S1035 PolarHBondContact O-N 2.87Å; L1031-M1060 HydrophobicContact CB-SD 4.27Å; L1031-M1060 HydrophobicContact CD1-SD 4.32Å; L1031-V1063 HydrophobicContact CD1-CG2 3.97Å; L1031-V1063 HydrophobicContact CD2-CG1 3.78Å; L1031-V1063 HydrophobicContact CD2-CG2 4.03Å; L1031-V1063 HydrophobicContact CG-CG2 4.43Å; L1031-L1067 HydrophobicContact CD2-CD2 4.2Å; L1031-I1074 HydrophobicContact CB-CD1 4.44Å; L1031-I1074 HydrophobicContact CD2-CD1 3.38Å; L1031-I1074 HydrophobicContact CG-CD1 3.56Å
1032I88Confident83Confident2 Ų261 Ų611%0.0133%0.334CS..Hα-helixtrans-61.4-34.4177.3-72.1166.2000112.4E1028 S1035 K1036 M1060E1028-I1032 WeakPolarHBondContact O-CB 2.86Å; E1028-I1032 WeakPolarHBondContact O-CD1 3.1Å; E1028-I1032 VanDerWaalsContact O-CG1 3.26Å; E1028-I1032 WeakPolarHBondContact O-CG1 3.43Å; E1028-I1032 PolarHBondContact O-N 3Å; I1032-S1035 PolarHBondContact O-OG 3.28Å; I1032-S1035 VanDerWaalsContact O-OG 3.12Å; I1032-K1036 HydrophobicContact CG2-CD 4.49Å; I1032-K1036 VanDerWaalsContact O-CD 3.27Å; I1032-K1036 WeakPolarHBondContact O-CD 3.22Å; I1032-K1036 WeakPolarHBondContact O-CE 3.46Å; I1032-K1036 VanDerWaalsContact O-CG 3.27Å; I1032-K1036 WeakPolarHBondContact O-CG 3.24Å; I1032-M1060 HydrophobicContact CD1-CG 4.12Å; I1032-M1060 HydrophobicContact CG1-CG 4.14Å
1033N89.5Confident81.7Confident85 Ų8554.5 Ų54.546%0.45531%0.305SS..Hα-helixtrans-83.3-31178.5-72.6-42.2000112.9Q1029 M1030 L1031 T1037Q1029-N1033 WeakPolarHBondContact O-CB 3.31Å; Q1029-N1033 VanDerWaalsContact O-CG 3.26Å; Q1029-N1033 PolarHBondContact O-N 3.2Å; Q1029-N1033 PolarHBondContact O-ND2 2.92Å; M1030-N1033 PolarHBondContact O-N 3.34Å; L1031-N1033 VanDerWaalsContact C-N 3.31Å; L1031-N1033 PolarHBondContact O-N 3.23Å; N1033-T1037 WeakPolarHBondContact O-CG2 3.03Å; N1033-T1037 PolarHBondContact O-N 2.97Å; N1033-T1037 PolarHBondContact O-OG1 2.99Å
1034C88.5Confident80.3Confident11 Ų1158.6 Ų58.67%0.07432%0.322CS..Hα-helixtrans-67.3-40.6171.8-83.90000112.8M1030 L1031 K1036 T1037 L1038 L1067 C1071M1030-C1034 WeakPolarHBondContact O-CB 3.4Å; M1030-C1034 PolarHBondContact O-N 3.3Å; L1031-C1034 PolarHBondContact O-N 2.88Å; C1034-K1036 PolarHBondContact O-N 3.37Å; C1034-T1037 WeakPolarHBondContact CA-OG1 3.05Å; C1034-T1037 PolarHBondContact O-N 3.44Å; C1034-T1037 VanDerWaalsContact O-N 3.11Å; C1034-T1037 PolarHBondContact O-OG1 2.83Å; C1034-L1038 HydrophobicContact CB-CD1 4.38Å; C1034-L1038 WeakPolarHBondContact O-CB 3.41Å; C1034-L1038 WeakPolarHBondContact O-CG 3.49Å; C1034-L1038 PolarHBondContact O-N 3.45Å; C1034-L1067 HydrophobicContact CB-CD1 4.14Å; C1034-C1071 HydrophobicContact CB-CB 3.55Å; C1034-C1071 WeakPolarHBondContact CB-SG 3.05Å; C1034-C1071 VanDerWaalsContact SG-CA 3.51Å; C1034-C1071 WeakPolarHBondContact SG-CB 3.24Å; C1034-C1071 CovalentContact SG-SG 2.02Å; C1034-C1071 PolarHBondContact SG-SG 3.31Å
1035S85.7Confident78.7Confident36 Ų3663.1 Ų63.125%0.25235%0.346SS..Hα-helixtrans-65.2-29.5178.466.90000113L1031 I1032 P1061L1031-S1035 PolarHBondContact O-N 2.87Å; I1032-S1035 PolarHBondContact O-OG 3.28Å; I1032-S1035 VanDerWaalsContact O-OG 3.12Å; S1035-P1061 WeakPolarHBondContact OG-CG 3.22Å
1036K84.5Confident77.1Confident145 Ų14566.4 Ų66.463%0.6336%0.357SS*.Hα-helixtrans-77.4-16.9174.9-66.9168.3-168.61710114I1032 C1034I1032-K1036 HydrophobicContact CG2-CD 4.49Å; I1032-K1036 VanDerWaalsContact O-CD 3.27Å; I1032-K1036 WeakPolarHBondContact O-CD 3.22Å; I1032-K1036 WeakPolarHBondContact O-CE 3.46Å; I1032-K1036 VanDerWaalsContact O-CG 3.27Å; I1032-K1036 WeakPolarHBondContact O-CG 3.24Å; C1034-K1036 PolarHBondContact O-N 3.37Å
1037T80.7Confident75.3Confident112 Ų11273.4 Ų73.469%0.68739%0.386SS*.Hα-helixtrans-109.3-16.6-176.146.90000113.6N1033 C1034N1033-T1037 WeakPolarHBondContact O-CG2 3.03Å; N1033-T1037 PolarHBondContact O-N 2.97Å; N1033-T1037 PolarHBondContact O-OG1 2.99Å; C1034-T1037 WeakPolarHBondContact CA-OG1 3.05Å; C1034-T1037 PolarHBondContact O-N 3.44Å; C1034-T1037 VanDerWaalsContact O-N 3.11Å; C1034-T1037 PolarHBondContact O-OG1 2.83Å
1038L79Confident73.5Confident35 Ų3576.7 Ų76.718%0.18341%0.406CS..SBendtrans-91141.5176.8-73.7163.6000112.4C1034 T1043 L1067 H1070C1034-L1038 HydrophobicContact CB-CD1 4.38Å; C1034-L1038 WeakPolarHBondContact O-CB 3.41Å; C1034-L1038 WeakPolarHBondContact O-CG 3.49Å; C1034-L1038 PolarHBondContact O-N 3.45Å; L1038-T1043 HydrophobicContact CB-CG2 4.29Å; L1038-L1067 HydrophobicContact CD1-CD1 3.9Å; L1038-H1070 HydrophobicContact CD1-CB 3.94Å; L1038-H1070 HydrophobicContact CD2-CB 3.65Å; L1038-H1070 HydrophobicContact CG-CB 4.48Å
1039P74.7Confident71.8Confident80 Ų8079 Ų7952%0.51943%0.427SS..  trans-60137.1172.6-22.932.4000112.6N1041 L1042P1039-N1041 PolarHBondContact O-N 3.43Å; P1039-N1041 VanDerWaalsContact O-N 3.08Å; P1039-L1042 HydrophobicContact CG-CD1 4.28Å; P1039-L1042 PolarHBondContact O-N 2.89Å
1040T65.4Low69.9Low97 Ų9780.7 Ų80.760%0.59545%0.446SS*.Hα-helixtrans-55.6-29.7-179.3470000114L1042 T1043 H1044T1040-L1042 PolarHBondContact O-N 3.38Å; T1040-T1043 PolarHBondContact O-N 2.89Å; T1040-T1043 PolarHBondContact O-OG1 2.9Å; T1040-H1044 PolarHBondContact O-CD2 2.88Å; T1040-H1044 PolarHBondContact O-N 3.49Å
1041N63.3Low68.2Low136 Ų13686.6 Ų86.673%0.72748%0.475SS*.Hα-helixtrans-65.8-19.8176.9-66.8-4.4000113.8P1039P1039-N1041 PolarHBondContact O-N 3.43Å; P1039-N1041 VanDerWaalsContact O-N 3.08Å
1042L61.6Low66.7Low58 Ų5895.3 Ų95.330%0.30452%0.515SS..Hα-helixtrans-94.2-28.6178.9-74.5163.4000112.7P1039 T1040 L1045P1039-L1042 HydrophobicContact CG-CD1 4.28Å; P1039-L1042 PolarHBondContact O-N 2.89Å; T1040-L1042 PolarHBondContact O-N 3.38Å; L1042-L1045 HydrophobicContact CD2-CD1 4.2Å
1043T58.8Low65.4Low23 Ų2399.3 Ų99.314%0.14153%0.534CS..Hα-helixtrans-79.2-26.9177.253.40000112.8L1038 T1040 T1064 L1067L1038-T1043 HydrophobicContact CB-CG2 4.29Å; T1040-T1043 PolarHBondContact O-N 2.89Å; T1040-T1043 PolarHBondContact O-OG1 2.9Å; T1043-T1064 WeakPolarHBondContact O-CG2 3.46Å; T1043-T1064 PolarHBondContact O-OG1 2.98Å; T1043-L1067 HydrophobicContact CG2-CD1 4.04Å
1044H58.2Low64.3Low126 Ų12699.7 Ų99.758%0.58355%0.549SS*.THydrogen-bonded Turntrans-95.518-178.5-76.4-83.4000115.4T1040 H1046T1040-H1044 PolarHBondContact O-CD2 2.88Å; T1040-H1044 PolarHBondContact O-N 3.49Å; H1044-H1046 PolarHBondContact O-N 3.17Å; H1044-H1046 VanDerWaalsContact O-N 3.08Å
1045L52.3Low63.7Low109 Ų109100.5 Ų100.557%0.57155%0.55SS**SBendtrans-62.4-17.2-174.3-87.3168.3000115.6L1042L1042-L1045 HydrophobicContact CD2-CD1 4.2Å
1046H53.1Low63.2Low130 Ų130109 Ų10960%0.60258%0.578SS**SBendtrans-119.4115.3171-70.2-90.6000110.6H1044 V1048H1044-H1046 PolarHBondContact O-N 3.17Å; H1044-H1046 VanDerWaalsContact O-N 3.08Å; H1046-V1048 VanDerWaalsContact C-N 3.29Å; H1046-V1048 HydrophobicContact CB-CG2 4.48Å; H1046-V1048 PolarHBondContact O-N 3.01Å
1047L52.8Low62.9Low176 Ų176104 Ų10492%0.92156%0.559SS**  trans-79.974.2175.8-87.1162.6000110.9
1048V51.8Low62.7Low71 Ų71104.5 Ų104.543%0.4356%0.564SS.*  trans-72.7139.6166.2-169.20000108.3S999 H1046S999-V1048 VanDerWaalsContact O-CG2 3.27Å; S999-V1048 WeakPolarHBondContact O-CG2 3.06Å; H1046-V1048 VanDerWaalsContact C-N 3.29Å; H1046-V1048 HydrophobicContact CB-CG2 4.48Å; H1046-V1048 PolarHBondContact O-N 3.01Å
1049S52.1Low62.7Low90 Ų90108.5 Ų108.563%0.62959%0.586SS**  trans-67.9142.5173.861.30000109.7M1051S1049-M1051 VanDerWaalsContact C-N 3.26Å; S1049-M1051 PolarHBondContact O-N 3.06Å
1050P50.3Low63Low123 Ų123105.5 Ų105.580%0.79957%0.565SS**  trans-74.778.3-175.430.5-35.9000111.6Q1052P1050-Q1052 PolarHBondContact O-N 3.33Å
1051M52.3Low63.8Low170 Ų170101.8 Ų101.884%0.83754%0.542SS*.  trans-64114.2144.6-65-129.868.900105.8S1049 E1053S1049-M1051 VanDerWaalsContact C-N 3.26Å; S1049-M1051 PolarHBondContact O-N 3.06Å; M1051-E1053 VanDerWaalsContact C-N 3.33Å; M1051-E1053 PolarHBondContact O-N 2.95Å
1052Q57.3Low64.7Low186 Ų18698.9 Ų98.987%0.86953%0.531SS*.  trans-82.582-164.6-163.51688.600109.8P1050 A1054P1050-Q1052 PolarHBondContact O-N 3.33Å; Q1052-A1054 PolarHBondContact O-N 3.37Å
1053E62.5Low65.9Low87 Ų8796.1 Ų96.141%0.40752%0.517SS..  trans-60.6124.7176.6-178.5144.7-127.400110.5S1003 M1051 Y1055S1003-E1053 WeakPolarHBondContact CA-OE1 3.2Å; S1003-E1053 VanDerWaalsContact CA-OE2 3.31Å; S1003-E1053 WeakPolarHBondContact CA-OE2 3.43Å; S1003-E1053 WeakPolarHBondContact CB-OE1 3.28Å; M1051-E1053 VanDerWaalsContact C-N 3.33Å; M1051-E1053 PolarHBondContact O-N 2.95Å; E1053-Y1055 HydrophobicContact CG-CD1 4.29Å; E1053-Y1055 HydrophobicContact CG-CE1 4.01Å
1054A65.9Low67.2Low92 Ų9295.8 Ų95.876%0.7651%0.514SS*.  trans-104.882.8-173.100000109.6Q1052Q1052-A1054 PolarHBondContact O-N 3.37Å
1055Y76.3Confident68.6Low28 Ų2891.6 Ų91.611%0.1150%0.495CS..  trans-58.1148.1175-61-66.1000112.3V1001 L1002 D1004 I1007 E1053 D1057 M1060 P1061 V1063V1001-Y1055 WeakPolarHBondContact CG1-OH 3.33Å; L1002-Y1055 WeakPolarHBondContact O-CE1 3.3Å; L1002-Y1055 PolarHBondContact O-OH 3.47Å; D1004-Y1055 WeakPolarHBondContact OD1-CD1 3.08Å; D1004-Y1055 VanDerWaalsContact OD2-CA 3.29Å; D1004-Y1055 WeakPolarHBondContact OD2-CA 3.05Å; I1007-Y1055 HydrophobicContact CD1-CD1 4.48Å; I1007-Y1055 HydrophobicContact CD1-CE1 3.96Å; E1053-Y1055 HydrophobicContact CG-CD1 4.29Å; E1053-Y1055 HydrophobicContact CG-CE1 4.01Å; Y1055-D1057 VanDerWaalsContact C-N 3.3Å; Y1055-D1057 PolarHBondContact O-N 3.31Å; Y1055-M1060 HydrophobicContact CD1-CE 3.39Å; Y1055-M1060 HydrophobicContact CD2-CB 4.14Å; Y1055-M1060 HydrophobicContact CD2-CE 3.68Å; Y1055-M1060 HydrophobicContact CE1-CE 3.37Å; Y1055-M1060 HydrophobicContact CE2-CE 3.65Å; Y1055-M1060 HydrophobicContact CG-CB 4.14Å; Y1055-M1060 HydrophobicContact CG-CE 3.55Å; Y1055-M1060 VanDerWaalsContact CZ-CE 3.49Å; Y1055-P1061 WeakPolarHBondContact CE2-O 3.35Å; Y1055-V1063 PolarHBondContact OH-N 2.99Å
1056Y75.3Confident70Confident214 Ų21486.8 Ų86.884%0.83947%0.471SS*.SBendtrans-63-30.9178.6-72.4-68.6000113.9D1004D1004-Y1056 HydrophobicContact CB-CD2 4.12Å; D1004-Y1056 HydrophobicContact CB-CE2 4.29Å; D1004-Y1056 WeakPolarHBondContact OD2-CD2 3.28Å; D1004-Y1056 PolarHBondContact OD2-N 3.21Å
1057D76.9Confident71.6Confident41 Ų4180.7 Ų80.722%0.21944%0.443CS..SBendtrans-93.3116.3166.9-176.3-6.7000109.6Y1055 N1059 M1060Y1055-D1057 VanDerWaalsContact C-N 3.3Å; Y1055-D1057 PolarHBondContact O-N 3.31Å; D1057-N1059 PolarHBondContact O-N 3.03Å; D1057-N1059 WeakPolarHBondContact OD1-CB 3.46Å; D1057-N1059 PolarHBondContact OD1-N 3.24Å; D1057-N1059 PolarHBondContact OD1-ND2 3.41Å; D1057-M1060 HydrophobicContact CB-CB 4.37Å; D1057-M1060 WeakPolarHBondContact O-CB 3.35Å; D1057-M1060 PolarHBondContact O-N 3.45Å; D1057-M1060 VanDerWaalsContact O-N 3.07Å
1058P76Confident73.3Confident123 Ų12372.5 Ų72.580%0.79940%0.4SS*.THydrogen-bonded Turntrans-66.3-4.917829-36.7000114.4
1059N79.9Confident75Confident119 Ų11972.1 Ų72.164%0.63640%0.396SS*.THydrogen-bonded Turntrans-93.2-4.8174.3-56.1-86.3000113.5D1057D1057-N1059 PolarHBondContact O-N 3.03Å; D1057-N1059 WeakPolarHBondContact OD1-CB 3.46Å; D1057-N1059 PolarHBondContact OD1-N 3.24Å; D1057-N1059 PolarHBondContact OD1-ND2 3.41Å
1060M81Confident76.6Confident17 Ų1771.8 Ų71.88%0.08438%0.384CS..PPolyproline II helixtrans-78.3126.6-172.3-131.5-75.8-63.500111.3I1007 L1031 I1032 Y1055 D1057 V1063I1007-M1060 HydrophobicContact CD1-CE 3.47Å; I1007-M1060 VanDerWaalsContact CD1-CE 3.47Å; L1031-M1060 HydrophobicContact CB-SD 4.27Å; L1031-M1060 HydrophobicContact CD1-SD 4.32Å; I1032-M1060 HydrophobicContact CD1-CG 4.12Å; I1032-M1060 HydrophobicContact CG1-CG 4.14Å; Y1055-M1060 HydrophobicContact CD1-CE 3.39Å; Y1055-M1060 HydrophobicContact CD2-CB 4.14Å; Y1055-M1060 HydrophobicContact CD2-CE 3.68Å; Y1055-M1060 HydrophobicContact CE1-CE 3.37Å; Y1055-M1060 HydrophobicContact CE2-CE 3.65Å; Y1055-M1060 HydrophobicContact CG-CB 4.14Å; Y1055-M1060 HydrophobicContact CG-CE 3.55Å; Y1055-M1060 VanDerWaalsContact CZ-CE 3.49Å; D1057-M1060 HydrophobicContact CB-CB 4.37Å; D1057-M1060 WeakPolarHBondContact O-CB 3.35Å; D1057-M1060 PolarHBondContact O-N 3.45Å; D1057-M1060 VanDerWaalsContact O-N 3.07Å; M1060-V1063 HydrophobicContact CE-CG2 3.59Å; M1060-V1063 HydrophobicContact SD-CG2 3.8Å
1061P82.4Confident78.5Confident19 Ų1966 Ų6612%0.12335%0.346CS..PPolyproline II helixtrans-71.9158.8176.732.8-39.9000111.9S1035 Y1055 V1063 L1067S1035-P1061 WeakPolarHBondContact OG-CG 3.22Å; Y1055-P1061 WeakPolarHBondContact CE2-O 3.35Å; P1061-V1063 PolarHBondContact O-N 2.68Å; P1061-L1067 HydrophobicContact CG-CD2 4.11Å
1062P82.1Confident80.2Confident74 Ų7465.1 Ų65.148%0.48134%0.338SS..PPolyproline II helixtrans-60.3120.4165.826.7-33.6000110.1V1001 T1064V1001-P1062 HydrophobicContact CG1-CB 4.03Å; P1062-T1064 VanDerWaalsContact C-N 3.32Å; P1062-T1064 PolarHBondContact O-N 2.84Å
1063V86.9Confident81.7Confident1 Ų159.2 Ų59.21%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-84.477-174.6-179.60000110.2F991 V1001 L1002 I1007 L1031 Y1055 M1060 P1061 L1067 V1068F991-V1063 WeakPolarHBondContact CE2-O 3.29Å; V1001-V1063 WeakPolarHBondContact CA-O 3.46Å; L1002-V1063 HydrophobicContact CB-CB 4.2Å; L1002-V1063 HydrophobicContact CB-CG1 4.14Å; L1002-V1063 HydrophobicContact CD1-CG1 4.1Å; L1002-V1063 HydrophobicContact CG-CG1 4.17Å; L1002-V1063 PolarHBondContact N-O 3.18Å; I1007-V1063 HydrophobicContact CD1-CB 4.39Å; I1007-V1063 HydrophobicContact CD1-CG2 3.86Å; L1031-V1063 HydrophobicContact CD1-CG2 3.97Å; L1031-V1063 HydrophobicContact CD2-CG1 3.78Å; L1031-V1063 HydrophobicContact CD2-CG2 4.03Å; L1031-V1063 HydrophobicContact CG-CG2 4.43Å; Y1055-V1063 PolarHBondContact OH-N 2.99Å; M1060-V1063 HydrophobicContact CE-CG2 3.59Å; M1060-V1063 HydrophobicContact SD-CG2 3.8Å; P1061-V1063 PolarHBondContact O-N 2.68Å; V1063-L1067 HydrophobicContact CG2-CD2 4.42Å; V1063-V1068 HydrophobicContact CG1-CG2 3.71Å
1064T86.7Confident83Confident16 Ų1655.1 Ų55.110%0.09830%0.297CS..EExtended strand (participates in β ladder)trans-74.2156.1177.968.10000112.1G1000 V1001 T1043 P1062 G1066 L1067 V1068G1000-T1064 WeakPolarHBondContact O-CA 3.16Å; V1001-T1064 HydrophobicContact CG2-CG2 4.32Å; T1043-T1064 WeakPolarHBondContact O-CG2 3.46Å; T1043-T1064 PolarHBondContact O-OG1 2.98Å; P1062-T1064 VanDerWaalsContact C-N 3.32Å; P1062-T1064 PolarHBondContact O-N 2.84Å; T1064-G1066 PolarHBondContact O-N 2.75Å; T1064-G1066 VanDerWaalsContact O-N 3.16Å; T1064-L1067 WeakPolarHBondContact O-CB 3.43Å; T1064-L1067 PolarHBondContact O-N 2.78Å; T1064-L1067 PolarHBondContact OG1-N 2.78Å; T1064-V1068 PolarHBondContact O-N 3.12Å
1065K86.1Confident84Confident38 Ų3851.8 Ų51.817%0.16527%0.267CS..Hα-helixtrans-51.2-37.7171.6-168.5168.6-176.9174.10112.9S988 F991 D992 V1068 L1069S988-K1065 VanDerWaalsContact CB-CE 3.48Å; S988-K1065 WeakPolarHBondContact O-CE 3.24Å; S988-K1065 PolarHBondContact O-NZ 2.83Å; S988-K1065 WeakPolarHBondContact OG-CE 3.41Å; S988-K1065 PolarHBondContact OG-NZ 2.86Å; F991-K1065 HydrophobicContact CB-CG 4.15Å; F991-K1065 HydrophobicContact CD1-CB 3.73Å; F991-K1065 HydrophobicContact CD1-CD 3.92Å; F991-K1065 HydrophobicContact CD1-CG 3.76Å; F991-K1065 HydrophobicContact CD2-CB 4.19Å; F991-K1065 HydrophobicContact CD2-CG 4.35Å; F991-K1065 HydrophobicContact CE1-CB 3.7Å; F991-K1065 HydrophobicContact CE1-CG 4.27Å; F991-K1065 VanDerWaalsContact CE2-CA 3.47Å; F991-K1065 HydrophobicContact CE2-CB 4.15Å; F991-K1065 VanDerWaalsContact CE2-N 3.34Å; F991-K1065 HydrophobicContact CG-CB 3.99Å; F991-K1065 HydrophobicContact CG-CD 4.36Å; F991-K1065 HydrophobicContact CG-CG 3.82Å; F991-K1065 HydrophobicContact CZ-CB 3.93Å; F991-K1065 VanDerWaalsContact CZ-N 3.26Å; D992-K1065 WeakPolarHBondContact OD1-CD 3.14Å; D992-K1065 VanDerWaalsContact OD1-CE 3.32Å; D992-K1065 WeakPolarHBondContact OD1-CE 3.3Å; D992-K1065 IonicContact OD1-NZ 2.67Å; D992-K1065 PolarHBondContact OD1-NZ 2.8Å; D992-K1065 IonicContact OD2-NZ 2.68Å; D992-K1065 PolarHBondContact OD2-NZ 2.75Å; K1065-V1068 PolarHBondContact O-N 3.45Å; K1065-L1069 HydrophobicContact CG-CD1 4.02Å; K1065-L1069 WeakPolarHBondContact O-CB 3.32Å; K1065-L1069 WeakPolarHBondContact O-CG 3.4Å; K1065-L1069 PolarHBondContact O-N 3.37Å
1066G82.3Confident84.6Confident8 Ų856.5 Ų56.58%0.08229%0.29CS..Hα-helixtrans-64.1-36.9175.200000113.8T1064 H1070T1064-G1066 PolarHBondContact O-N 2.75Å; T1064-G1066 VanDerWaalsContact O-N 3.16Å; G1066-H1070 PolarHBondContact O-N 2.84Å; G1066-H1070 PolarHBondContact O-ND1 2.83Å
1067L86.8Confident85.1Confident2 Ų249 Ų491%0.0126%0.262CS..Hα-helixtrans-65.3-48.1175.3-178.865.3000111.3L1031 C1034 L1038 T1043 P1061 V1063 T1064 H1070 C1071L1031-L1067 HydrophobicContact CD2-CD2 4.2Å; C1034-L1067 HydrophobicContact CB-CD1 4.14Å; L1038-L1067 HydrophobicContact CD1-CD1 3.9Å; T1043-L1067 HydrophobicContact CG2-CD1 4.04Å; P1061-L1067 HydrophobicContact CG-CD2 4.11Å; V1063-L1067 HydrophobicContact CG2-CD2 4.42Å; T1064-L1067 WeakPolarHBondContact O-CB 3.43Å; T1064-L1067 PolarHBondContact O-N 2.78Å; T1064-L1067 PolarHBondContact OG1-N 2.78Å; L1067-H1070 PolarHBondContact O-N 2.75Å; L1067-C1071 WeakPolarHBondContact O-CB 3.29Å; L1067-C1071 PolarHBondContact O-N 3.42Å; L1067-C1071 VanDerWaalsContact O-N 3.07Å
1068V88.1Confident85.7Confident3 Ų347.1 Ų47.12%0.01825%0.251CS..Hα-helixtrans-66.9-41.7-176.8178.90000111.9V987 F991 V1063 T1064 K1065 H1070 I1074 T1075 I1078V987-V1068 HydrophobicContact CG1-CG1 4.21Å; F991-V1068 HydrophobicContact CD2-CB 4.02Å; F991-V1068 HydrophobicContact CD2-CG1 4.44Å; F991-V1068 HydrophobicContact CD2-CG2 3.83Å; F991-V1068 HydrophobicContact CE2-CB 4.49Å; F991-V1068 HydrophobicContact CE2-CG2 3.92Å; V1063-V1068 HydrophobicContact CG1-CG2 3.71Å; T1064-V1068 PolarHBondContact O-N 3.12Å; K1065-V1068 PolarHBondContact O-N 3.45Å; V1068-H1070 VanDerWaalsContact C-N 3.35Å; V1068-H1070 PolarHBondContact O-N 3.12Å; V1068-I1074 HydrophobicContact CG1-CG2 4.16Å; V1068-T1075 PolarHBondContact O-OG1 2.73Å; V1068-I1078 HydrophobicContact CG1-CD1 3.81Å
1069L86.9Confident86.1Confident64 Ų6445.8 Ų45.834%0.33523%0.234SC..Hα-helixtrans-63.3-34.5179.2-78.9171.7000114.1V987 K1065V987-L1069 HydrophobicContact CB-CD2 4.14Å; V987-L1069 HydrophobicContact CG1-CD2 4.35Å; K1065-L1069 HydrophobicContact CG-CD1 4.02Å; K1065-L1069 WeakPolarHBondContact O-CB 3.32Å; K1065-L1069 WeakPolarHBondContact O-CG 3.4Å; K1065-L1069 PolarHBondContact O-N 3.37Å
1070H86.9Confident86.3Confident83 Ų8349.2 Ų49.238%0.38424%0.243SC..Hα-helixtrans-99.6-9.7-176.2-60.190000113.6L1038 G1066 L1067 V1068 K1072L1038-H1070 HydrophobicContact CD1-CB 3.94Å; L1038-H1070 HydrophobicContact CD2-CB 3.65Å; L1038-H1070 HydrophobicContact CG-CB 4.48Å; G1066-H1070 PolarHBondContact O-N 2.84Å; G1066-H1070 PolarHBondContact O-ND1 2.83Å; L1067-H1070 PolarHBondContact O-N 2.75Å; V1068-H1070 VanDerWaalsContact C-N 3.35Å; V1068-H1070 PolarHBondContact O-N 3.12Å; H1070-K1072 PolarHBondContact O-N 2.87Å; H1070-K1072 VanDerWaalsContact O-N 3.11Å
1071C89.2Confident86.3Confident1 Ų150.3 Ų50.31%0.00726%0.256CS..  trans-8280178.1179.90000111.8C1034 L1067 P1073 I1074 T1075C1034-C1071 HydrophobicContact CB-CB 3.55Å; C1034-C1071 WeakPolarHBondContact CB-SG 3.05Å; C1034-C1071 VanDerWaalsContact SG-CA 3.51Å; C1034-C1071 WeakPolarHBondContact SG-CB 3.24Å; C1034-C1071 CovalentContact SG-SG 2.02Å; C1034-C1071 PolarHBondContact SG-SG 3.31Å; L1067-C1071 WeakPolarHBondContact O-CB 3.29Å; L1067-C1071 PolarHBondContact O-N 3.42Å; L1067-C1071 VanDerWaalsContact O-N 3.07Å; C1071-P1073 VanDerWaalsContact C-N 3.33Å; C1071-P1073 WeakPolarHBondContact O-CD 3.35Å; C1071-I1074 HydrophobicContact CB-CB 4.33Å; C1071-I1074 WeakPolarHBondContact O-CA 3.42Å; C1071-I1074 PolarHBondContact O-N 2.9Å; C1071-I1074 WeakPolarHBondContact SG-CD1 3.41Å; C1071-I1074 VanDerWaalsContact SG-CG1 3.54Å; C1071-T1075 VanDerWaalsContact C-OG1 3.31Å; C1071-T1075 PolarHBondContact O-N 3.38Å; C1071-T1075 PolarHBondContact O-OG1 2.97Å
1072K88.3Confident86.1Confident151 Ų15150.6 Ų50.666%0.65726%0.255SS*.Hα-helixtrans-40.2-46.8-176-67.6-171.4176.1-1700115.9H1070 I1074 T1075 E1076H1070-K1072 PolarHBondContact O-N 2.87Å; H1070-K1072 VanDerWaalsContact O-N 3.11Å; K1072-I1074 PolarHBondContact O-N 3.44Å; K1072-T1075 PolarHBondContact O-N 2.92Å; K1072-E1076 WeakPolarHBondContact O-CB 3.31Å; K1072-E1076 VanDerWaalsContact O-CG 3.28Å; K1072-E1076 WeakPolarHBondContact O-CG 3.26Å; K1072-E1076 PolarHBondContact O-N 3.23Å
1073P89.1Confident85.3Confident63 Ų6355.7 Ų55.741%0.40927%0.269SS..Hα-helixtrans-62.8-28.7-179.4-22.535.1000114M1030 C1071 K1077M1030-P1073 HydrophobicContact SD-CB 4.27Å; C1071-P1073 VanDerWaalsContact C-N 3.33Å; C1071-P1073 WeakPolarHBondContact O-CD 3.35Å; P1073-K1077 WeakPolarHBondContact O-CB 3.47Å; P1073-K1077 PolarHBondContact O-N 2.93Å
1074I88.9Confident84.5Confident1 Ų159.2 Ų59.21%0.00529%0.288CS..Hα-helixtrans-84.1-41.7175.4-64.4-179.7000110.1L1027 M1030 L1031 V1068 C1071 K1072 E1076 K1077 I1078L1027-I1074 HydrophobicContact CD1-CD1 4.12Å; L1027-I1074 HydrophobicContact CD1-CG1 4.24Å; M1030-I1074 HydrophobicContact CB-CD1 4.09Å; M1030-I1074 HydrophobicContact CB-CG1 4.09Å; L1031-I1074 HydrophobicContact CB-CD1 4.44Å; L1031-I1074 HydrophobicContact CD2-CD1 3.38Å; L1031-I1074 HydrophobicContact CG-CD1 3.56Å; V1068-I1074 HydrophobicContact CG1-CG2 4.16Å; C1071-I1074 HydrophobicContact CB-CB 4.33Å; C1071-I1074 WeakPolarHBondContact O-CA 3.42Å; C1071-I1074 PolarHBondContact O-N 2.9Å; C1071-I1074 WeakPolarHBondContact SG-CD1 3.41Å; C1071-I1074 VanDerWaalsContact SG-CG1 3.54Å; K1072-I1074 PolarHBondContact O-N 3.44Å; I1074-E1076 VanDerWaalsContact C-N 3.32Å; I1074-E1076 PolarHBondContact O-N 3.11Å; I1074-K1077 PolarHBondContact O-N 3.16Å; I1074-I1078 HydrophobicContact CG2-CD1 3.86Å; I1074-I1078 HydrophobicContact CG2-CG1 4.4Å; I1074-I1078 WeakPolarHBondContact O-CG1 3.49Å; I1074-I1078 PolarHBondContact O-N 3.47Å
1075T88.4Confident83.8Confident22 Ų2264.3 Ų64.314%0.13531%0.311CS..Hα-helixtrans-55.7-47.2173.5-33.40000111V987 V1068 C1071 K1072 I1078 H1079V987-T1075 HydrophobicContact CB-CG2 4.3Å; V987-T1075 HydrophobicContact CG1-CG2 4.31Å; V987-T1075 HydrophobicContact CG2-CG2 3.87Å; V1068-T1075 PolarHBondContact O-OG1 2.73Å; C1071-T1075 VanDerWaalsContact C-OG1 3.31Å; C1071-T1075 PolarHBondContact O-N 3.38Å; C1071-T1075 PolarHBondContact O-OG1 2.97Å; K1072-T1075 PolarHBondContact O-N 2.92Å; T1075-I1078 PolarHBondContact O-N 3.45Å; T1075-H1079 PolarHBondContact O-CD2 2.97Å; T1075-H1079 PolarHBondContact O-N 3.02Å
1076E87.9Confident83.7Confident127 Ų12766.2 Ų66.259%0.59332%0.323SS*.Hα-helixtrans-64.2-39.2175.9-72.3167.4-157.700112.6K1072 I1074 K1080K1072-E1076 WeakPolarHBondContact O-CB 3.31Å; K1072-E1076 VanDerWaalsContact O-CG 3.28Å; K1072-E1076 WeakPolarHBondContact O-CG 3.26Å; K1072-E1076 PolarHBondContact O-N 3.23Å; I1074-E1076 VanDerWaalsContact C-N 3.32Å; I1074-E1076 PolarHBondContact O-N 3.11Å; E1076-K1080 WeakPolarHBondContact O-CB 3.46Å; E1076-K1080 PolarHBondContact O-N 3.4Å
1077K87.1Confident84Confident57 Ų5769.3 Ų69.325%0.24833%0.334CS..Hα-helixtrans-65.1-39.2173.4-95.1173.5153-79.50112.8I1014 H1015 M1030 P1073 I1074 K1080 A1081I1014-K1077 HydrophobicContact CD1-CB 4.38Å; H1015-K1077 PolarHBondContact CE1-NZ 3.31Å; H1015-K1077 PolarHBondContact NE2-NZ 2.97Å; M1030-K1077 HydrophobicContact CE-CD 3.61Å; M1030-K1077 HydrophobicContact SD-CD 4.02Å; P1073-K1077 WeakPolarHBondContact O-CB 3.47Å; P1073-K1077 PolarHBondContact O-N 2.93Å; I1074-K1077 PolarHBondContact O-N 3.16Å; K1077-K1080 PolarHBondContact O-N 2.7Å; K1077-A1081 WeakPolarHBondContact O-CB 3.35Å; K1077-A1081 PolarHBondContact O-N 2.89Å
1078I87.6Confident84.2Confident1 Ų171.6 Ų71.61%0.00534%0.343CS..Hα-helixtrans-64.9-52175.4-70.7168.9000109.6L985 V987 V990 L1010 I1014 V1068 I1074 T1075 K1080 A1081 F1082L985-I1078 HydrophobicContact CD2-CG2 3.9Å; V987-I1078 HydrophobicContact CG1-CD1 3.79Å; V987-I1078 HydrophobicContact CG1-CG2 4.2Å; V987-I1078 HydrophobicContact CG2-CB 4.45Å; V987-I1078 HydrophobicContact CG2-CG2 3.89Å; V990-I1078 HydrophobicContact CB-CG2 4.21Å; V990-I1078 HydrophobicContact CG1-CG2 3.88Å; V990-I1078 HydrophobicContact CG2-CG2 4.12Å; L1010-I1078 HydrophobicContact CD1-CD1 4.27Å; L1010-I1078 HydrophobicContact CD1-CG1 4.26Å; I1014-I1078 HydrophobicContact CG2-CG1 4.11Å; V1068-I1078 HydrophobicContact CG1-CD1 3.81Å; I1074-I1078 HydrophobicContact CG2-CD1 3.86Å; I1074-I1078 HydrophobicContact CG2-CG1 4.4Å; I1074-I1078 WeakPolarHBondContact O-CG1 3.49Å; I1074-I1078 PolarHBondContact O-N 3.47Å; T1075-I1078 PolarHBondContact O-N 3.45Å; I1078-K1080 VanDerWaalsContact C-N 3.26Å; I1078-K1080 PolarHBondContact O-N 3.49Å; I1078-A1081 PolarHBondContact O-N 2.83Å; I1078-A1081 VanDerWaalsContact O-N 3.12Å; I1078-F1082 HydrophobicContact CG2-CD2 3.89Å; I1078-F1082 HydrophobicContact CG2-CE2 4.29Å; I1078-F1082 HydrophobicContact CG2-CG 4.5Å; I1078-F1082 WeakPolarHBondContact O-CB 3.39Å; I1078-F1082 WeakPolarHBondContact O-CD2 3.28Å; I1078-F1082 PolarHBondContact O-N 3.18Å
1079H85.1Confident84.3Confident95 Ų9578.1 Ų78.144%0.4437%0.371SS..Hα-helixtrans-59.4-31.6175.8-74.1-67.2000113.9L985 T1075L985-H1079 PolarHBondContact O-CE1 2.83Å; L985-H1079 VanDerWaalsContact O-CE1 3.22Å; T1075-H1079 PolarHBondContact O-CD2 2.97Å; T1075-H1079 PolarHBondContact O-N 3.02Å
1080K83.8Confident84.6Confident190 Ų19077.8 Ų77.883%0.82637%0.367SS*.Hα-helixtrans-72.6-32.2176.9-173.7179.4177.3-170.80112.8E1076 K1077 I1078E1076-K1080 WeakPolarHBondContact O-CB 3.46Å; E1076-K1080 PolarHBondContact O-N 3.4Å; K1077-K1080 PolarHBondContact O-N 2.7Å; I1078-K1080 VanDerWaalsContact C-N 3.26Å; I1078-K1080 PolarHBondContact O-N 3.49Å
1081A81.2Confident84.9Confident41 Ų4176.3 Ų76.334%0.33936%0.36SS..Hα-helixtrans-94.9-42.3-173.200000113.2R1013 I1014 K1077 I1078 K1083R1013-A1081 WeakPolarHBondContact O-CB 3.42Å; I1014-A1081 HydrophobicContact CB-CB 4Å; I1014-A1081 HydrophobicContact CG2-CB 4.04Å; K1077-A1081 WeakPolarHBondContact O-CB 3.35Å; K1077-A1081 PolarHBondContact O-N 2.89Å; I1078-A1081 PolarHBondContact O-N 2.83Å; I1078-A1081 VanDerWaalsContact O-N 3.12Å; A1081-K1083 PolarHBondContact O-N 2.85Å
1082F78.3Confident85Confident25 Ų2581 Ų8111%0.1139%0.385CS..SBendtrans-86.1106.5173.4-69.4-107.1000108.6L985 V990 L1010 R1013 I1014 I1078L985-F1082 HydrophobicContact CD1-CB 3.76Å; L985-F1082 HydrophobicContact CD2-CB 3.57Å; L985-F1082 HydrophobicContact CD2-CG 4.45Å; L985-F1082 HydrophobicContact CG-CB 4.32Å; V990-F1082 HydrophobicContact CG1-CD1 4.26Å; V990-F1082 HydrophobicContact CG1-CD2 4.24Å; V990-F1082 HydrophobicContact CG1-CE1 3.68Å; V990-F1082 HydrophobicContact CG1-CE2 3.67Å; V990-F1082 HydrophobicContact CG1-CZ 3.34Å; V990-F1082 HydrophobicContact CG2-CD1 4.1Å; V990-F1082 HydrophobicContact CG2-CE1 4.22Å; V990-F1082 HydrophobicContact CG2-CG 4.39Å; L1010-F1082 HydrophobicContact CD1-CE2 4.4Å; R1013-F1082 HydrophobicContact CB-CE2 3.91Å; R1013-F1082 HydrophobicContact CB-CZ 3.81Å; R1013-F1082 HydrophobicContact CG-CZ 4.29Å; I1014-F1082 HydrophobicContact CG2-CD2 4.26Å; I1014-F1082 HydrophobicContact CG2-CE2 3.8Å; I1078-F1082 HydrophobicContact CG2-CD2 3.89Å; I1078-F1082 HydrophobicContact CG2-CE2 4.29Å; I1078-F1082 HydrophobicContact CG2-CG 4.5Å; I1078-F1082 WeakPolarHBondContact O-CB 3.39Å; I1078-F1082 WeakPolarHBondContact O-CD2 3.28Å; I1078-F1082 PolarHBondContact O-N 3.18Å
1083K66.3Low85.1Confident180 Ų18075.8 Ų75.878%0.78336%0.363SS*.PPolyproline II helixtrans-65.1149.2172.1-61.9-177.9179.4-177.90110.3A1081 Q1085A1081-K1083 PolarHBondContact O-N 2.85Å; K1083-Q1085 PolarHBondContact O-N 2.91Å
1084D69.5Low84.7Confident76 Ų7675.1 Ų75.141%0.40637%0.367SS..PPolyproline II helixtrans-54.1134.3168.2-62.8-69.4000110.2Q982 Q984 L985Q982-D1084 HydrophobicContact CB-CB 4.36Å; Q984-D1084 WeakPolarHBondContact CA-OD1 3.41Å; L985-D1084 PolarHBondContact N-OD1 3.07Å; L985-D1084 VanDerWaalsContact N-OD1 3.11Å
1085Q72.6Confident84.4Confident123 Ų12380.2 Ų80.258%0.57539%0.391SS*.EExtended strand (participates in β ladder)trans-95.9149.3-175.2-61-170.324.800110.3Q982 Q983 K1083 K1087Q982-Q1085 CarbonylContact C-O 3.59Å; Q982-Q1085 WeakPolarHBondContact CA-O 3.25Å; Q983-Q1085 PolarHBondContact N-O 2.8Å; K1083-Q1085 PolarHBondContact O-N 2.91Å; Q1085-K1087 PolarHBondContact O-N 3.03Å
1086N83.6Confident84.2Confident77 Ų7786.8 Ų86.841%0.41242%0.42SS..EExtended strand (participates in β ladder)trans-62.2120.7171.1-62.4-8.2000108.5Y1088 F1090N1086-Y1088 PolarHBondContact O-N 2.88Å; N1086-F1090 HydrophobicContact CB-CE1 4.42Å; N1086-F1090 VanDerWaalsContact ND2-CE1 3.31Å; N1086-F1090 WeakPolarHBondContact ND2-CE1 3.26Å
1087K88.4Confident84.2Confident74 Ų7483.1 Ų83.132%0.32240%0.403SS..SBendtrans-57.4-32.5-177.5-171.4-179.2-171.9-167.80111.9E945 A981 Q983 Q1085E945-K1087 IonicContact OE1-NZ 2.77Å; E945-K1087 PolarHBondContact OE1-NZ 3.37Å; E945-K1087 IonicContact OE2-NZ 3.95Å; E945-K1087 PolarHBondContact OE2-NZ 3.02Å; A981-K1087 HydrophobicContact CB-CB 4.41Å; A981-K1087 VanDerWaalsContact O-CB 3.26Å; A981-K1087 WeakPolarHBondContact O-CB 3.42Å; A981-K1087 PolarHBondContact O-N 3.22Å; Q983-K1087 HydrophobicContact CB-CB 4.06Å; Q983-K1087 HydrophobicContact CB-CG 4.18Å; Q1085-K1087 PolarHBondContact O-N 3.03Å
1088Y91.4Very high84.2Confident50 Ų5081.6 Ų81.620%0.19640%0.397CS..SBendtrans-114.5132.5175.7-55.1-69.6000110.7V942 E945 F977 L978 A981 N1086V942-Y1088 HydrophobicContact CG1-CE2 4.23Å; V942-Y1088 HydrophobicContact CG2-CD1 4.06Å; V942-Y1088 HydrophobicContact CG2-CE1 3.63Å; V942-Y1088 HydrophobicContact CG2-CE2 4.27Å; E945-Y1088 PolarHBondContact OE2-OH 3.46Å; F977-Y1088 HydrophobicContact CE1-CE2 4.4Å; L978-Y1088 HydrophobicContact CG-CD2 4.36Å; L978-Y1088 HydrophobicContact CG-CG 4.17Å; A981-Y1088 HydrophobicContact CB-CD2 4.25Å; A981-Y1088 HydrophobicContact CB-CE2 4.2Å; N1086-Y1088 PolarHBondContact O-N 2.88Å
1089K89.6Confident84.2Confident139 Ų13982 Ų8260%0.60440%0.401SS*.  trans-74.6140.1172.1-58.9-176.5-179.5-177.50109.5K442 G443 Q444K442-K1089 CarbonylContact O-C 3.54Å; K442-K1089 VanDerWaalsContact O-C 3.25Å; K442-K1089 WeakPolarHBondContact O-CB 3.38Å; G443-K1089 CarbonylContact C-O 3.56Å; G443-K1089 WeakPolarHBondContact CA-O 3.47Å; Q444-K1089 PolarHBondContact N-O 3.33Å
1090F93.5Very high84.2Confident57 Ų5781.2 Ų81.225%0.2540%0.396CS..EExtended strand (participates in β ladder)trans-147.7161.9173.763.4-93.2000113K442 Q444 V446 L978 M979 N1086 I1092K442-F1090 CarbonylContact O-C 3.59Å; K442-F1090 VanDerWaalsContact O-C 3.24Å; K442-F1090 VanDerWaalsContact O-CA 3.24Å; K442-F1090 WeakPolarHBondContact O-CA 3.28Å; K442-F1090 PolarHBondContact O-N 3.34Å; Q444-F1090 CarbonylContact O-C 3.34Å; Q444-F1090 WeakPolarHBondContact O-CA 3.39Å; Q444-F1090 VanDerWaalsContact O-CB 3.27Å; Q444-F1090 WeakPolarHBondContact O-CB 3.38Å; V446-F1090 HydrophobicContact CG2-CB 4.33Å; L978-F1090 HydrophobicContact CD2-CB 3.94Å; L978-F1090 HydrophobicContact CD2-CD1 4.33Å; M979-F1090 VanDerWaalsContact CA-CE1 3.48Å; M979-F1090 HydrophobicContact CB-CD1 4.16Å; M979-F1090 HydrophobicContact CB-CE1 3.73Å; M979-F1090 HydrophobicContact CB-CE2 4.36Å; M979-F1090 HydrophobicContact CB-CZ 3.84Å; M979-F1090 HydrophobicContact CG-CD1 3.75Å; M979-F1090 HydrophobicContact CG-CD2 3.79Å; M979-F1090 HydrophobicContact CG-CE1 3.75Å; M979-F1090 HydrophobicContact CG-CE2 3.8Å; M979-F1090 HydrophobicContact CG-CG 3.77Å; M979-F1090 HydrophobicContact CG-CZ 3.77Å; M979-F1090 WeakPolarHBondContact O-CE1 3.45Å; M979-F1090 HydrophobicContact SD-CD2 4.03Å; M979-F1090 HydrophobicContact SD-CE2 3.92Å; M979-F1090 HydrophobicContact SD-CZ 4.35Å; N1086-F1090 HydrophobicContact CB-CE1 4.42Å; N1086-F1090 VanDerWaalsContact ND2-CE1 3.31Å; N1086-F1090 WeakPolarHBondContact ND2-CE1 3.26Å; F1090-I1092 HydrophobicContact CD2-CG1 4.2Å; F1090-I1092 HydrophobicContact CE2-CD1 4.26Å; F1090-I1092 HydrophobicContact CE2-CG1 4.17Å
1091E93.4Very high84.2Confident53 Ų5374.2 Ų74.225%0.24837%0.366CS..EExtended strand (participates in β ladder)trans-129.9129.3170.1172.4159.7-122.600109.5K442 Q444 K445 V446 M1093K442-E1091 HydrophobicContact CB-CB 4.28Å; K442-E1091 HydrophobicContact CD-CB 4.31Å; K442-E1091 VanDerWaalsContact CD-CD 3.41Å; K442-E1091 HydrophobicContact CD-CG 4.42Å; K442-E1091 WeakPolarHBondContact CD-OE1 3.43Å; K442-E1091 WeakPolarHBondContact CD-OE2 3.43Å; K442-E1091 VanDerWaalsContact NZ-CD 3.27Å; K442-E1091 IonicContact NZ-OE1 3.95Å; K442-E1091 PolarHBondContact NZ-OE1 2.85Å; K442-E1091 IonicContact NZ-OE2 2.82Å; K442-E1091 PolarHBondContact NZ-OE2 2.98Å; Q444-E1091 PolarHBondContact O-N 3.18Å; K445-E1091 CarbonylContact C-O 3.55Å; K445-E1091 WeakPolarHBondContact CA-O 3.28Å; V446-E1091 PolarHBondContact N-O 3.03Å; E1091-M1093 HydrophobicContact CG-SD 4.02Å
1092I90.6Very high84Confident100 Ų10074.7 Ų74.751%0.51336%0.362SS..EExtended strand (participates in β ladder)trans-85.7124.7174.6-61.1173.9000108.7V446 L448 M979 F1090V446-I1092 WeakPolarHBondContact O-CA 3.17Å; L448-I1092 HydrophobicContact CD1-CD1 4.29Å; L448-I1092 HydrophobicContact CD1-CG2 4.1Å; L448-I1092 HydrophobicContact CG-CG2 4.49Å; M979-I1092 HydrophobicContact SD-CD1 4.48Å; M979-I1092 HydrophobicContact SD-CG1 4.44Å; F1090-I1092 HydrophobicContact CD2-CG1 4.2Å; F1090-I1092 HydrophobicContact CE2-CD1 4.26Å; F1090-I1092 HydrophobicContact CE2-CG1 4.17Å
1093M90.3Very high84Confident41 Ų4173.6 Ų73.620%0.20236%0.357CS..EExtended strand (participates in β ladder)trans-103.4150.5-177-63-66.5-64.500111.3K445 V446 Y447 E1091K445-M1093 HydrophobicContact CB-CG 3.87Å; K445-M1093 HydrophobicContact CD-CE 4.42Å; K445-M1093 HydrophobicContact CD-CG 4.19Å; K445-M1093 HydrophobicContact CD-SD 3.99Å; K445-M1093 HydrophobicContact CG-CG 3.89Å; K445-M1093 HydrophobicContact CG-SD 4Å; V446-M1093 PolarHBondContact O-N 3.08Å; Y447-M1093 HydrophobicContact CD1-CB 3.42Å; Y447-M1093 VanDerWaalsContact CD1-CB 3.42Å; Y447-M1093 HydrophobicContact CD1-CG 4.3Å; Y447-M1093 HydrophobicContact CD2-CB 4.31Å; Y447-M1093 HydrophobicContact CE1-CB 3.34Å; Y447-M1093 HydrophobicContact CE1-CE 4.29Å; Y447-M1093 HydrophobicContact CE1-CG 3.86Å; Y447-M1093 HydrophobicContact CE2-CB 4.25Å; Y447-M1093 HydrophobicContact CE2-CG 4.12Å; Y447-M1093 HydrophobicContact CG-CB 3.92Å; E1091-M1093 HydrophobicContact CG-SD 4.02Å
1094G81.8Confident84.6Confident49 Ų4970.7 Ų70.751%0.50534%0.341SS..PPolyproline II helixtrans-78.8163.2174.300000113.7E1096G1094-E1096 PolarHBondContact O-N 3.15Å; G1094-E1096 VanDerWaalsContact O-N 3.16Å
1095E82.1Confident84.9Confident107 Ų10768.6 Ų68.650%0.533%0.331SS..G310 helixtrans-70.6-6.6-176.9-61.2178.6-15300114.1T449 E1097 I1098T449-E1095 WeakPolarHBondContact CA-OE1 3.05Å; T449-E1095 HydrophobicContact CG2-CG 4.17Å; E1095-E1097 PolarHBondContact O-N 3.37Å; E1095-I1098 PolarHBondContact O-N 3.48Å
1096E85.4Confident85.3Confident160 Ų16067.2 Ų67.275%0.74833%0.328SS*.G310 helixtrans-58.9-22.1-173.1-64.2-173-152.900115.2G1094 R1122G1094-E1096 PolarHBondContact O-N 3.15Å; G1094-E1096 VanDerWaalsContact O-N 3.16Å; E1096-R1122 WeakPolarHBondContact O-CD 3.47Å; E1096-R1122 PolarHBondContact O-NH1 2.95Å
1097E86.1Confident85.3Confident50 Ų5065.2 Ų65.223%0.23432%0.318CS..G310 helixtrans-92.51.8-178.6-53.7-153.2128.600113.7Y447 E1095 R1122 K1123 F1124Y447-E1097 HydrophobicContact CE1-CB 4.26Å; Y447-E1097 PolarHBondContact OH-OE2 3.29Å; E1095-E1097 PolarHBondContact O-N 3.37Å; E1097-R1122 WeakPolarHBondContact O-CB 3.4Å; E1097-K1123 HydrophobicContact CB-CB 4.43Å; E1097-K1123 HydrophobicContact CB-CD 4.38Å; E1097-K1123 PolarHBondContact O-N 3.41Å; E1097-K1123 VanDerWaalsContact OE1-CE 3.26Å; E1097-K1123 WeakPolarHBondContact OE1-CE 3.18Å; E1097-K1123 IonicContact OE1-NZ 2.66Å; E1097-K1123 PolarHBondContact OE1-NZ 2.89Å; E1097-K1123 WeakPolarHBondContact OE2-CD 3.44Å; E1097-K1123 IonicContact OE2-NZ 3.65Å; E1097-K1123 PolarHBondContact OE2-NZ 3.49Å; E1097-F1124 HydrophobicContact CB-CD2 4.37Å; E1097-F1124 HydrophobicContact CB-CE2 4.33Å; E1097-F1124 PolarHBondContact O-N 2.87Å; E1097-F1124 VanDerWaalsContact O-N 3.1Å
1098I88.6Confident85.1Confident25 Ų2566.4 Ų66.413%0.12834%0.336CS..EExtended strand (participates in β ladder)trans-120.7141.4-169.3-57.8179.4000111.6Y447 A932 M934 E1095 F1124Y447-I1098 HydrophobicContact CD1-CD1 3.8Å; Y447-I1098 HydrophobicContact CD1-CG1 4.37Å; Y447-I1098 HydrophobicContact CG-CD1 3.91Å; A932-I1098 HydrophobicContact CB-CD1 3.34Å; M934-I1098 HydrophobicContact CB-CD1 4.19Å; M934-I1098 HydrophobicContact CG-CD1 3.81Å; E1095-I1098 PolarHBondContact O-N 3.48Å; I1098-F1124 CarbonylContact C-O 3.24Å; I1098-F1124 WeakPolarHBondContact CA-O 3.28Å; I1098-F1124 HydrophobicContact CG1-CB 4.36Å; I1098-F1124 HydrophobicContact CG1-CD2 3.96Å
1099A86.9Confident84.8Confident9 Ų968.9 Ų68.97%0.07435%0.349CS..EExtended strand (participates in β ladder)trans-127100.2166.800000110.8I1117 R1122 F1124 I1125 C1126A1099-I1117 HydrophobicContact CB-CD1 4.47Å; A1099-I1117 HydrophobicContact CB-CG1 4.18Å; A1099-R1122 HydrophobicContact CB-CB 4.02Å; A1099-R1122 HydrophobicContact CB-CG 3.7Å; A1099-F1124 PolarHBondContact N-O 3.08Å; A1099-I1125 HydrophobicContact CB-CG1 4.37Å; A1099-I1125 CarbonylContact O-C 3.57Å; A1099-I1125 WeakPolarHBondContact O-CA 3.42Å; A1099-C1126 PolarHBondContact O-N 3.44Å
1100F85.9Confident84.6Confident79 Ų7962.3 Ų62.335%0.34632%0.321SS..EExtended strand (participates in β ladder)trans-94.4124.4168.6-179.3-102.6000109.7H933 M1102 C1126 N1128H933-F1100 HydrophobicContact CB-CD2 4.13Å; H933-F1100 HydrophobicContact CB-CE2 4.24Å; F1100-M1102 HydrophobicContact CE1-CE 4.28Å; F1100-M1102 HydrophobicContact CE1-CG 4.27Å; F1100-M1102 HydrophobicContact CZ-CG 4.5Å; F1100-C1126 HydrophobicContact CD2-CB 3.93Å; F1100-N1128 HydrophobicContact CE2-CB 4.42Å
1101K83.4Confident84.5Confident43 Ų4361.9 Ų61.919%0.18732%0.323CS..EExtended strand (participates in β ladder)trans-134.4120.1174.7-51-70.1-171.3-177.80110.1V1103 Q1113 D1116 I1117 C1126 L1127 N1128K1101-V1103 PolarHBondContact O-N 3.49Å; K1101-Q1113 HydrophobicContact CB-CB 4.48Å; K1101-Q1113 HydrophobicContact CD-CB 4.19Å; K1101-Q1113 HydrophobicContact CD-CG 4.34Å; K1101-Q1113 HydrophobicContact CG-CB 4.33Å; K1101-D1116 IonicContact NZ-OD2 3.79Å; K1101-D1116 PolarHBondContact NZ-OD2 3.25Å; K1101-I1117 HydrophobicContact CG-CD1 3.72Å; K1101-I1117 HydrophobicContact CG-CG1 4.49Å; K1101-C1126 PolarHBondContact N-O 3.31Å; K1101-L1127 HydrophobicContact CB-CD2 3.85Å; K1101-L1127 HydrophobicContact CG-CD2 4.17Å; K1101-L1127 WeakPolarHBondContact O-CA 3.45Å; K1101-N1128 PolarHBondContact O-N 3.41Å
1102M75.5Confident84.2Confident51 Ų5161.5 Ų61.525%0.25133%0.333SS..EExtended strand (participates in β ladder)trans-70120.4162.5-73.7173-108.100109.6F1100 Q1113 N1130F1100-M1102 HydrophobicContact CE1-CE 4.28Å; F1100-M1102 HydrophobicContact CE1-CG 4.27Å; F1100-M1102 HydrophobicContact CZ-CG 4.5Å; M1102-Q1113 PolarHBondContact O-NE2 3.46Å; M1102-Q1113 PolarHBondContact O-OE1 3.23Å; M1102-N1130 WeakPolarHBondContact CB-OD1 3.44Å; M1102-N1130 WeakPolarHBondContact CG-OD1 3.39Å
1103V78.8Confident84.2Confident3 Ų358 Ų582%0.01831%0.314CS..EExtended strand (participates in β ladder)trans-89.3128.3176.9-1730000108.8K1101 V1110 L1127 N1128 N1130 I1131 V1141 L1145K1101-V1103 PolarHBondContact O-N 3.49Å; V1103-V1110 HydrophobicContact CG1-CB 4.44Å; V1103-V1110 HydrophobicContact CG1-CG1 3.86Å; V1103-V1110 HydrophobicContact CG1-CG2 3.64Å; V1103-L1127 HydrophobicContact CG2-CB 4.1Å; V1103-L1127 HydrophobicContact CG2-CD2 4.4Å; V1103-N1128 PolarHBondContact N-O 3.45Å; V1103-N1130 CarbonylContact O-C 3.59Å; V1103-N1130 WeakPolarHBondContact O-CA 3.41Å; V1103-N1130 VanDerWaalsContact O-CB 3.31Å; V1103-N1130 WeakPolarHBondContact O-CB 3.4Å; V1103-N1130 PolarHBondContact O-N 2.99Å; V1103-I1131 HydrophobicContact CG1-CD1 4.01Å; V1103-I1131 HydrophobicContact CG1-CG1 4.08Å; V1103-I1131 PolarHBondContact O-N 3.26Å; V1103-V1141 HydrophobicContact CG1-CG1 4.05Å; V1103-L1145 HydrophobicContact CG1-CD1 4.16Å; V1103-L1145 HydrophobicContact CG1-CD2 4.12Å; V1103-L1145 HydrophobicContact CG1-CG 4.29Å; V1103-L1145 HydrophobicContact CG2-CD2 4.2Å
1104R78.5Confident84.3Confident118 Ų11856 Ų5645%0.44531%0.305SS..EExtended strand (participates in β ladder)trans-126.8169-175-64.2-176.7178.7-173.3-1.4111.3N1106 V1110 N1130R1104-N1106 PolarHBondContact O-N 2.82Å; R1104-V1110 WeakPolarHBondContact O-CG2 3.41Å; R1104-N1130 HydrophobicContact CG-CB 4.47Å
1105T76Confident84.7Confident32 Ų3256.9 Ų56.920%0.19630%0.298CS..SBendtrans-63.7-6.6179.427.10000116.7V1107 I1131 D1132 H1135 A1138T1105-V1107 PolarHBondContact O-N 3.42Å; T1105-I1131 HydrophobicContact CG2-CB 4.47Å; T1105-I1131 HydrophobicContact CG2-CG2 3.7Å; T1105-D1132 HydrophobicContact CG2-CB 3.96Å; T1105-D1132 VanDerWaalsContact CG2-N 3.34Å; T1105-D1132 VanDerWaalsContact CG2-O 3.22Å; T1105-D1132 WeakPolarHBondContact CG2-O 3.29Å; T1105-H1135 HydrophobicContact CG2-CB 3.68Å; T1105-A1138 HydrophobicContact CG2-CB 4.25Å
1106N80.8Confident85.1Confident94 Ų9454.8 Ų54.850%0.50329%0.29SS..  trans-85.298.5177.3-175.2-32.5000110.5R1104 S1108 H1109 V1110R1104-N1106 PolarHBondContact O-N 2.82Å; N1106-S1108 VanDerWaalsContact C-N 3.32Å; N1106-S1108 PolarHBondContact O-N 3.31Å; N1106-S1108 PolarHBondContact OD1-N 3.33Å; N1106-H1109 HydrophobicContact CB-CB 4Å; N1106-H1109 WeakPolarHBondContact O-CB 3.45Å; N1106-H1109 PolarHBondContact O-N 3.08Å; N1106-H1109 PolarHBondContact OD1-N 3.26Å; N1106-V1110 PolarHBondContact O-N 2.78Å
1107V85Confident85.4Confident35 Ų3547.2 Ų47.221%0.21225%0.254CS..Hα-helixtrans-49.1-49-178.8-178.70000112.2T1105 H1109 V1110 V1111 D1137 T1140 V1141T1105-V1107 PolarHBondContact O-N 3.42Å; V1107-H1109 VanDerWaalsContact C-N 3.29Å; V1107-H1109 PolarHBondContact O-N 3.33Å; V1107-V1110 PolarHBondContact O-N 3.01Å; V1107-V1111 HydrophobicContact CG1-CG2 4.22Å; V1107-V1111 WeakPolarHBondContact O-CG2 3.46Å; V1107-V1111 PolarHBondContact O-N 2.97Å; V1107-D1137 HydrophobicContact CG2-CB 4.05Å; V1107-T1140 HydrophobicContact CG1-CG2 4.16Å; V1107-T1140 HydrophobicContact CG2-CG2 4Å; V1107-V1141 HydrophobicContact CB-CG2 4.47Å; V1107-V1141 HydrophobicContact CG2-CG2 3.64Å
1108S84.8Confident85.6Confident100 Ų10048.7 Ų48.770%0.69926%0.258SS*.Hα-helixtrans-64.1-33.6-177.3-52.70000113N1106 G1112N1106-S1108 VanDerWaalsContact C-N 3.32Å; N1106-S1108 PolarHBondContact O-N 3.31Å; N1106-S1108 PolarHBondContact OD1-N 3.33Å; S1108-G1112 PolarHBondContact O-N 2.75Å
1109H83.7Confident85.7Confident102 Ų10255.5 Ų55.547%0.47229%0.286SS..Hα-helixtrans-71.8-44.1174.7-171.9-85.1000111.2N1106 V1107 G1112 Q1113N1106-H1109 HydrophobicContact CB-CB 4Å; N1106-H1109 WeakPolarHBondContact O-CB 3.45Å; N1106-H1109 PolarHBondContact O-N 3.08Å; N1106-H1109 PolarHBondContact OD1-N 3.26Å; V1107-H1109 VanDerWaalsContact C-N 3.29Å; V1107-H1109 PolarHBondContact O-N 3.33Å; H1109-G1112 PolarHBondContact O-N 2.95Å; H1109-Q1113 PolarHBondContact CE1-OE1 2.9Å; H1109-Q1113 PolarHBondContact ND1-OE1 2.85Å; H1109-Q1113 WeakPolarHBondContact O-CG 3.46Å; H1109-Q1113 PolarHBondContact O-N 2.69Å; H1109-Q1113 PolarHBondContact O-OE1 3.01Å
1110V86.6Confident85.8Confident1 Ų158.1 Ų58.11%0.00630%0.299CS..Hα-helixtrans-63.9-45.8178.7171.60000111.8V1103 R1104 N1106 V1107 G1112 Q1113 L1114 V1141 V1144V1103-V1110 HydrophobicContact CG1-CB 4.44Å; V1103-V1110 HydrophobicContact CG1-CG1 3.86Å; V1103-V1110 HydrophobicContact CG1-CG2 3.64Å; R1104-V1110 WeakPolarHBondContact O-CG2 3.41Å; N1106-V1110 PolarHBondContact O-N 2.78Å; V1107-V1110 PolarHBondContact O-N 3.01Å; V1110-G1112 VanDerWaalsContact C-N 3.28Å; V1110-G1112 PolarHBondContact O-N 3.37Å; V1110-Q1113 WeakPolarHBondContact O-CB 3.23Å; V1110-Q1113 PolarHBondContact O-N 3.42Å; V1110-L1114 HydrophobicContact CG1-CD1 3.55Å; V1110-L1114 HydrophobicContact CG1-CG 4.04Å; V1110-L1114 VanDerWaalsContact O-CG 3.31Å; V1110-L1114 WeakPolarHBondContact O-CG 3.2Å; V1110-L1114 PolarHBondContact O-N 3.41Å; V1110-V1141 HydrophobicContact CB-CG1 4.31Å; V1110-V1141 HydrophobicContact CG1-CG1 4.04Å; V1110-V1141 HydrophobicContact CG2-CG1 4.06Å; V1110-V1144 HydrophobicContact CG1-CG1 4.39Å
1111V89.6Confident85.8Confident48 Ų4856.1 Ų56.129%0.29129%0.294SS..Hα-helixtrans-54.1-47.6174.2171.50000110.2V1107 Q1113 L1114 D1115 V1144V1107-V1111 HydrophobicContact CG1-CG2 4.22Å; V1107-V1111 WeakPolarHBondContact O-CG2 3.46Å; V1107-V1111 PolarHBondContact O-N 2.97Å; V1111-Q1113 PolarHBondContact O-N 2.9Å; V1111-L1114 PolarHBondContact O-N 3.42Å; V1111-D1115 WeakPolarHBondContact CG1-OD2 3.35Å; V1111-D1115 VanDerWaalsContact O-CB 3.31Å; V1111-D1115 WeakPolarHBondContact O-CB 3.41Å; V1111-D1115 VanDerWaalsContact O-CG 3.31Å; V1111-D1115 PolarHBondContact O-N 3.42Å; V1111-V1144 HydrophobicContact CG2-CG1 3.84Å; V1111-V1144 HydrophobicContact CG2-CG2 4.34Å
1112G88.8Confident86.3Confident44 Ų4458.3 Ų58.345%0.45430%0.301SS..Hα-helixtrans-62.1-35175.900000114.8S1108 H1109 V1110 D1116S1108-G1112 PolarHBondContact O-N 2.75Å; H1109-G1112 PolarHBondContact O-N 2.95Å; V1110-G1112 VanDerWaalsContact C-N 3.28Å; V1110-G1112 PolarHBondContact O-N 3.37Å; G1112-D1116 PolarHBondContact O-N 2.9Å
1113Q89.1Confident87.1Confident26 Ų2657.5 Ų57.512%0.12130%0.296CS..Hα-helixtrans-70.4-39.4175.8-71.1171.2-76.400112.7K1101 M1102 H1109 V1110 V1111 I1117K1101-Q1113 HydrophobicContact CB-CB 4.48Å; K1101-Q1113 HydrophobicContact CD-CB 4.19Å; K1101-Q1113 HydrophobicContact CD-CG 4.34Å; K1101-Q1113 HydrophobicContact CG-CB 4.33Å; M1102-Q1113 PolarHBondContact O-NE2 3.46Å; M1102-Q1113 PolarHBondContact O-OE1 3.23Å; H1109-Q1113 PolarHBondContact CE1-OE1 2.9Å; H1109-Q1113 PolarHBondContact ND1-OE1 2.85Å; H1109-Q1113 WeakPolarHBondContact O-CG 3.46Å; H1109-Q1113 PolarHBondContact O-N 2.69Å; H1109-Q1113 PolarHBondContact O-OE1 3.01Å; V1110-Q1113 WeakPolarHBondContact O-CB 3.23Å; V1110-Q1113 PolarHBondContact O-N 3.42Å; V1111-Q1113 PolarHBondContact O-N 2.9Å; Q1113-I1117 PolarHBondContact O-N 3.31Å
1114L92.3Very high87.8Confident1 Ų157.4 Ų57.41%0.00530%0.296CS..Hα-helixtrans-77.4-36.7-179-64.4175.1000111.7V1110 V1111 I1117 R1118 L1127 V1144 L1145 F1148V1110-L1114 HydrophobicContact CG1-CD1 3.55Å; V1110-L1114 HydrophobicContact CG1-CG 4.04Å; V1110-L1114 VanDerWaalsContact O-CG 3.31Å; V1110-L1114 WeakPolarHBondContact O-CG 3.2Å; V1110-L1114 PolarHBondContact O-N 3.41Å; V1111-L1114 PolarHBondContact O-N 3.42Å; L1114-I1117 WeakPolarHBondContact O-CB 3.31Å; L1114-I1117 PolarHBondContact O-N 3.37Å; L1114-I1117 VanDerWaalsContact O-N 3.15Å; L1114-R1118 WeakPolarHBondContact O-CG 3.36Å; L1114-R1118 PolarHBondContact O-N 3.18Å; L1114-L1127 HydrophobicContact CD2-CD1 3.71Å; L1114-L1127 HydrophobicContact CD2-CD2 4.05Å; L1114-V1144 HydrophobicContact CD1-CG1 3.83Å; L1114-L1145 HydrophobicContact CD1-CD2 4.21Å; L1114-L1145 HydrophobicContact CD2-CD2 4.39Å; L1114-F1148 HydrophobicContact CB-CD2 3.77Å; L1114-F1148 HydrophobicContact CB-CE2 4.27Å; L1114-F1148 HydrophobicContact CB-CG 4.25Å; L1114-F1148 HydrophobicContact CD1-CB 3.94Å; L1114-F1148 HydrophobicContact CD1-CG 4.22Å; L1114-F1148 HydrophobicContact CD2-CB 4.45Å; L1114-F1148 HydrophobicContact CD2-CD1 3.95Å; L1114-F1148 HydrophobicContact CD2-CD2 3.95Å; L1114-F1148 HydrophobicContact CD2-CE1 4.18Å; L1114-F1148 HydrophobicContact CD2-CE2 4.16Å; L1114-F1148 HydrophobicContact CD2-CG 3.84Å; L1114-F1148 HydrophobicContact CD2-CZ 4.28Å; L1114-F1148 HydrophobicContact CG-CD2 4.29Å; L1114-F1148 HydrophobicContact CG-CG 4.32Å
1115D91.5Very high88.5Confident67 Ų6752 Ų5236%0.35828%0.275SS..Hα-helixtrans-71.1-29.1176.2-71.4-16.1000112.4V1111 I1117 R1118 K1119V1111-D1115 WeakPolarHBondContact CG1-OD2 3.35Å; V1111-D1115 VanDerWaalsContact O-CB 3.31Å; V1111-D1115 WeakPolarHBondContact O-CB 3.41Å; V1111-D1115 VanDerWaalsContact O-CG 3.31Å; V1111-D1115 PolarHBondContact O-N 3.42Å; D1115-I1117 VanDerWaalsContact C-N 3.34Å; D1115-R1118 PolarHBondContact O-N 2.91Å; D1115-R1118 VanDerWaalsContact OD1-CD 3.23Å; D1115-R1118 WeakPolarHBondContact OD1-CD 3.26Å; D1115-R1118 IonicContact OD1-CZ 3.79Å; D1115-R1118 IonicContact OD1-NE 2.87Å; D1115-R1118 IonicContact OD1-NH1 3.74Å; D1115-R1118 PolarHBondContact OD1-NH1 3.02Å; D1115-K1119 WeakPolarHBondContact O-CB 3.45Å; D1115-K1119 PolarHBondContact O-N 3.25Å
1116D90.3Very high89.1Confident62 Ų6250.4 Ų50.433%0.33227%0.266SS..Hα-helixtrans-62.9-39.5167176.847.4000111.8K1101 G1112 K1119 N1120K1101-D1116 IonicContact NZ-OD2 3.79Å; K1101-D1116 PolarHBondContact NZ-OD2 3.25Å; G1112-D1116 PolarHBondContact O-N 2.9Å; D1116-K1119 PolarHBondContact O-N 2.94Å; D1116-N1120 WeakPolarHBondContact O-CB 3.35Å; D1116-N1120 PolarHBondContact O-N 2.94Å; D1116-N1120 PolarHBondContact OD1-ND2 3.23Å; D1116-N1120 VanDerWaalsContact OD1-ND2 3.07Å
1117I91.9Very high89.4Confident2 Ų246 Ų461%0.0124%0.242CC..Hα-helixtrans-68.4-42.9174.4-66.2165.4000111.2A1099 K1101 Q1113 L1114 D1115 K1119 N1120 P1121 I1125 L1127 F1148A1099-I1117 HydrophobicContact CB-CD1 4.47Å; A1099-I1117 HydrophobicContact CB-CG1 4.18Å; K1101-I1117 HydrophobicContact CG-CD1 3.72Å; K1101-I1117 HydrophobicContact CG-CG1 4.49Å; Q1113-I1117 PolarHBondContact O-N 3.31Å; L1114-I1117 WeakPolarHBondContact O-CB 3.31Å; L1114-I1117 PolarHBondContact O-N 3.37Å; L1114-I1117 VanDerWaalsContact O-N 3.15Å; D1115-I1117 VanDerWaalsContact C-N 3.34Å; I1117-K1119 VanDerWaalsContact C-N 3.29Å; I1117-K1119 PolarHBondContact O-N 3.31Å; I1117-N1120 CarbonylContact O-C 3.6Å; I1117-N1120 PolarHBondContact O-N 2.85Å; I1117-P1121 WeakPolarHBondContact O-CA 3.49Å; I1117-P1121 WeakPolarHBondContact O-CD 3.28Å; I1117-I1125 HydrophobicContact CD1-CG2 4.01Å; I1117-I1125 HydrophobicContact CG2-CD1 3.6Å; I1117-I1125 HydrophobicContact CG2-CG1 4.21Å; I1117-L1127 HydrophobicContact CD1-CD2 3.75Å; I1117-F1148 HydrophobicContact CB-CE2 4.16Å; I1117-F1148 HydrophobicContact CB-CZ 4.34Å; I1117-F1148 HydrophobicContact CG2-CE2 3.95Å; I1117-F1148 HydrophobicContact CG2-CZ 3.79Å
1118R90.6Very high89Confident81 Ų8145 Ų4531%0.30624%0.236SC..Hα-helixtrans-59.6-39.7174.7-73.6163.4159.2165.8-6.4112L1114 D1115 D1147 F1148 S1151L1114-R1118 WeakPolarHBondContact O-CG 3.36Å; L1114-R1118 PolarHBondContact O-N 3.18Å; D1115-R1118 PolarHBondContact O-N 2.91Å; D1115-R1118 VanDerWaalsContact OD1-CD 3.23Å; D1115-R1118 WeakPolarHBondContact OD1-CD 3.26Å; D1115-R1118 IonicContact OD1-CZ 3.79Å; D1115-R1118 IonicContact OD1-NE 2.87Å; D1115-R1118 IonicContact OD1-NH1 3.74Å; D1115-R1118 PolarHBondContact OD1-NH1 3.02Å; R1118-D1147 IonicContact CZ-OD2 3.81Å; R1118-D1147 IonicContact NH1-OD2 2.66Å; R1118-D1147 IonicContact NH2-OD2 2.69Å; R1118-D1147 PolarHBondContact NH2-OD2 3.23Å; R1118-F1148 HydrophobicContact CG-CD2 4.03Å; R1118-F1148 HydrophobicContact CG-CE2 4.03Å; R1118-S1151 PolarHBondContact NE-OG 2.87Å; R1118-S1151 PolarHBondContact NH2-OG 2.9Å; R1118-S1151 VanDerWaalsContact NH2-OG 3.11Å
1119K90.8Very high88.4Confident167 Ų16741 Ų4173%0.72621%0.206SC*.Hα-helixtrans-73-42.5178.3-177.6-177.7177.5-178.30112.7D1115 D1116 I1117 P1121D1115-K1119 WeakPolarHBondContact O-CB 3.45Å; D1115-K1119 PolarHBondContact O-N 3.25Å; D1116-K1119 PolarHBondContact O-N 2.94Å; I1117-K1119 VanDerWaalsContact C-N 3.29Å; I1117-K1119 PolarHBondContact O-N 3.31Å; K1119-P1121 VanDerWaalsContact C-CD 3.46Å
1120N87.6Confident87.7Confident65 Ų6538.3 Ų38.335%0.34820%0.195SC..SBendtrans-127.462.3-172.8-57.3-59.8000111.4D1116 I1117 R1122D1116-N1120 WeakPolarHBondContact O-CB 3.35Å; D1116-N1120 PolarHBondContact O-N 2.94Å; D1116-N1120 PolarHBondContact OD1-ND2 3.23Å; D1116-N1120 VanDerWaalsContact OD1-ND2 3.07Å; I1117-N1120 CarbonylContact O-C 3.6Å; I1117-N1120 PolarHBondContact O-N 2.85Å; N1120-R1122 PolarHBondContact O-N 3.43Å
1121P87.3Confident86.9Confident36 Ų3638.7 Ų38.723%0.23420%0.197CC..  trans-58.9126.6-175.220-30.8000110.9K430 I1117 K1119K430-P1121 WeakPolarHBondContact CD-O 3.34Å; K430-P1121 WeakPolarHBondContact CE-O 3.43Å; K430-P1121 HydrophobicContact CG-CB 4.49Å; K430-P1121 PolarHBondContact NZ-O 2.95Å; I1117-P1121 WeakPolarHBondContact O-CA 3.49Å; I1117-P1121 WeakPolarHBondContact O-CD 3.28Å; K1119-P1121 VanDerWaalsContact C-CD 3.46Å
1122R92.8Very high85.8Confident90 Ų9039.4 Ų39.434%0.3420%0.2SC..  trans-91.8166.9177-57.8-57.2176153.9-2.2109.7G429 E1096 E1097 A1099 N1120G429-R1122 CarbonylContact C-O 3.54Å; G429-R1122 VanDerWaalsContact CA-O 3.23Å; G429-R1122 WeakPolarHBondContact CA-O 3.41Å; E1096-R1122 WeakPolarHBondContact O-CD 3.47Å; E1096-R1122 PolarHBondContact O-NH1 2.95Å; E1097-R1122 WeakPolarHBondContact O-CB 3.4Å; A1099-R1122 HydrophobicContact CB-CB 4.02Å; A1099-R1122 HydrophobicContact CB-CG 3.7Å; N1120-R1122 PolarHBondContact O-N 3.43Å
1123K91.9Very high84.8Confident34 Ų3438.7 Ų38.715%0.14818%0.184CC..SBendtrans-66.9-49.1176.2-78.5-178.5-176.3160.10110.1F428 G429 K430 V432 D436 E1097F428-K1123 CarbonylContact C-O 3.6Å; F428-K1123 WeakPolarHBondContact CA-O 3.36Å; G429-K1123 PolarHBondContact N-O 2.96Å; K430-K1123 HydrophobicContact CB-CG 4.42Å; V432-K1123 HydrophobicContact CG1-CB 4.05Å; V432-K1123 HydrophobicContact CG1-CD 4.2Å; V432-K1123 HydrophobicContact CG1-CG 4.15Å; D436-K1123 IonicContact OD1-NZ 3.8Å; D436-K1123 PolarHBondContact OD1-NZ 2.81Å; D436-K1123 IonicContact OD2-NZ 2.72Å; E1097-K1123 HydrophobicContact CB-CB 4.43Å; E1097-K1123 HydrophobicContact CB-CD 4.38Å; E1097-K1123 PolarHBondContact O-N 3.41Å; E1097-K1123 VanDerWaalsContact OE1-CE 3.26Å; E1097-K1123 WeakPolarHBondContact OE1-CE 3.18Å; E1097-K1123 IonicContact OE1-NZ 2.66Å; E1097-K1123 PolarHBondContact OE1-NZ 2.89Å; E1097-K1123 WeakPolarHBondContact OE2-CD 3.44Å; E1097-K1123 IonicContact OE2-NZ 3.65Å; E1097-K1123 PolarHBondContact OE2-NZ 3.49Å
1124F94.4Very high83.3Confident1 Ų140 Ų400%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-110.5125.3-177.4-43.1-65000109F428 V432 D436 F437 Y447 M934 P935 E1097 I1098 A1099F428-F1124 HydrophobicContact CD1-CD1 4.13Å; F428-F1124 HydrophobicContact CD1-CE1 4.33Å; F428-F1124 AromaticContact CE1-CD1 3.94Å; F428-F1124 HydrophobicContact CE1-CD1 3.94Å; F428-F1124 AromaticContact CE1-CE1 3.95Å; F428-F1124 HydrophobicContact CE1-CE1 3.95Å; V432-F1124 HydrophobicContact CG1-CE1 3.96Å; V432-F1124 HydrophobicContact CG1-CZ 4.45Å; D436-F1124 HydrophobicContact CB-CZ 4.48Å; F437-F1124 AromaticContact CE1-CE1 3.79Å; F437-F1124 HydrophobicContact CE1-CE1 3.79Å; F437-F1124 HydrophobicContact CE1-CZ 4.07Å; F437-F1124 AromaticContact CZ-CE1 3.66Å; F437-F1124 HydrophobicContact CZ-CE1 3.66Å; F437-F1124 HydrophobicContact CZ-CZ 4.18Å; Y447-F1124 HydrophobicContact CE1-CE2 4.29Å; Y447-F1124 HydrophobicContact CE2-CE2 4.27Å; Y447-F1124 AromaticContact CZ-CE2 3.89Å; M934-F1124 HydrophobicContact CB-CB 3.86Å; M934-F1124 HydrophobicContact CB-CG 4.17Å; M934-F1124 HydrophobicContact CE-CD1 4.14Å; M934-F1124 HydrophobicContact CE-CD2 3.69Å; M934-F1124 HydrophobicContact CE-CE1 4.04Å; M934-F1124 HydrophobicContact CE-CE2 3.59Å; M934-F1124 HydrophobicContact CE-CG 3.96Å; M934-F1124 HydrophobicContact CE-CZ 3.76Å; P935-F1124 HydrophobicContact CG-CD1 3.97Å; E1097-F1124 HydrophobicContact CB-CD2 4.37Å; E1097-F1124 HydrophobicContact CB-CE2 4.33Å; E1097-F1124 PolarHBondContact O-N 2.87Å; E1097-F1124 VanDerWaalsContact O-N 3.1Å; I1098-F1124 CarbonylContact C-O 3.24Å; I1098-F1124 WeakPolarHBondContact CA-O 3.28Å; I1098-F1124 HydrophobicContact CG1-CB 4.36Å; I1098-F1124 HydrophobicContact CG1-CD2 3.96Å; A1099-F1124 PolarHBondContact N-O 3.08Å
1125I92.7Very high82.4Confident3 Ų343.3 Ų43.32%0.01521%0.212CC..EExtended strand (participates in β ladder)trans-120.6136.8178-61.2163.9000107.5V426 M427 G429 A1099 I1117 L1127 M1152V426-I1125 CarbonylContact C-O 3.51Å; V426-I1125 WeakPolarHBondContact CA-O 3.44Å; M427-I1125 HydrophobicContact CB-CB 4.45Å; M427-I1125 PolarHBondContact N-O 2.92Å; M427-I1125 PolarHBondContact O-N 2.89Å; G429-I1125 VanDerWaalsContact CA-CD1 3.49Å; A1099-I1125 HydrophobicContact CB-CG1 4.37Å; A1099-I1125 CarbonylContact O-C 3.57Å; A1099-I1125 WeakPolarHBondContact O-CA 3.42Å; I1117-I1125 HydrophobicContact CD1-CG2 4.01Å; I1117-I1125 HydrophobicContact CG2-CD1 3.6Å; I1117-I1125 HydrophobicContact CG2-CG1 4.21Å; I1125-L1127 HydrophobicContact CG2-CD2 4.27Å; I1125-L1127 HydrophobicContact CG2-CG 4.1Å; I1125-M1152 HydrophobicContact CD1-CE 4.28Å
1126C89.7Confident81.8Confident0 Ų047.8 Ų47.80%023%0.228CC..EExtended strand (participates in β ladder)trans-130.2126.9170.1173.60000109.3D425 V426 H933 A1099 F1100 K1101D425-C1126 WeakPolarHBondContact O-CA 3.37Å; V426-C1126 HydrophobicContact CG2-CB 4.13Å; H933-C1126 VanDerWaalsContact CD2-SG 3.5Å; A1099-C1126 PolarHBondContact O-N 3.44Å; F1100-C1126 HydrophobicContact CD2-CB 3.93Å; K1101-C1126 PolarHBondContact N-O 3.31Å
1127L85.8Confident81.3Confident2 Ų247.5 Ų47.51%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-119.679.4179.8-65.3-173000110.3D425 K1101 V1103 L1114 I1117 I1125 D1129 L1145 F1148 Y1149D425-L1127 PolarHBondContact O-N 3.48Å; K1101-L1127 HydrophobicContact CB-CD2 3.85Å; K1101-L1127 HydrophobicContact CG-CD2 4.17Å; K1101-L1127 WeakPolarHBondContact O-CA 3.45Å; V1103-L1127 HydrophobicContact CG2-CB 4.1Å; V1103-L1127 HydrophobicContact CG2-CD2 4.4Å; L1114-L1127 HydrophobicContact CD2-CD1 3.71Å; L1114-L1127 HydrophobicContact CD2-CD2 4.05Å; I1117-L1127 HydrophobicContact CD1-CD2 3.75Å; I1125-L1127 HydrophobicContact CG2-CD2 4.27Å; I1125-L1127 HydrophobicContact CG2-CG 4.1Å; L1127-D1129 PolarHBondContact O-N 3Å; L1127-L1145 HydrophobicContact CD1-CD2 4.33Å; L1127-F1148 HydrophobicContact CD1-CD1 4.03Å; L1127-F1148 HydrophobicContact CD1-CE1 3.62Å; L1127-F1148 HydrophobicContact CD1-CZ 4.37Å; L1127-Y1149 HydrophobicContact CD1-CE1 3.82Å
1128N76.4Confident80.5Confident13 Ų1347.6 Ų47.67%0.0723%0.227CC..EExtended strand (participates in β ladder)trans-67.6115.3179.3-175.3-12.1000110.4R873 F1100 K1101 V1103 N1130R873-N1128 PolarHBondContact NH1-OD1 2.72Å; R873-N1128 VanDerWaalsContact NH1-OD1 3.08Å; F1100-N1128 HydrophobicContact CE2-CB 4.42Å; K1101-N1128 PolarHBondContact O-N 3.41Å; V1103-N1128 PolarHBondContact N-O 3.45Å; N1128-N1130 PolarHBondContact O-N 3.05Å; N1128-N1130 PolarHBondContact OD1-ND2 2.94Å
1129D72.8Confident80.1Confident15 Ų1548 Ų488%0.0824%0.241CC..EExtended strand (participates in β ladder)trans-70.9112.8175.5-169.62.3000112.1N343 R873 L1127 I1131 H1133N343-D1129 PolarHBondContact ND2-OD2 2.95Å; R873-D1129 WeakPolarHBondContact CD-O 3.49Å; R873-D1129 VanDerWaalsContact NH1-N 3.16Å; R873-D1129 PolarHBondContact NH1-O 3.36Å; R873-D1129 VanDerWaalsContact NH1-O 3.17Å; L1127-D1129 PolarHBondContact O-N 3Å; D1129-I1131 WeakPolarHBondContact OD1-CB 3.37Å; D1129-I1131 VanDerWaalsContact OD1-CD1 3.3Å; D1129-I1131 WeakPolarHBondContact OD1-CD1 3.34Å; D1129-I1131 WeakPolarHBondContact OD1-CG1 3.46Å; D1129-I1131 PolarHBondContact OD1-N 3.06Å; D1129-H1133 IonicContact OD2-CE1 3.51Å; D1129-H1133 IonicContact OD2-NE2 3.22Å
1130N68.4Low79.9Confident46 Ų4643.3 Ų43.325%0.24623%0.226CC..EExtended strand (participates in β ladder)trans-122.332.4168.8-48.9123.4000111.5M1102 V1103 R1104 N1128 D1132M1102-N1130 WeakPolarHBondContact CB-OD1 3.44Å; M1102-N1130 WeakPolarHBondContact CG-OD1 3.39Å; V1103-N1130 CarbonylContact O-C 3.59Å; V1103-N1130 WeakPolarHBondContact O-CA 3.41Å; V1103-N1130 VanDerWaalsContact O-CB 3.31Å; V1103-N1130 WeakPolarHBondContact O-CB 3.4Å; V1103-N1130 PolarHBondContact O-N 2.99Å; R1104-N1130 HydrophobicContact CG-CB 4.47Å; N1128-N1130 PolarHBondContact O-N 3.05Å; N1128-N1130 PolarHBondContact OD1-ND2 2.94Å; N1130-D1132 PolarHBondContact O-N 2.72Å
1131I70.3Confident79.8Confident9 Ų940.3 Ų40.35%0.04621%0.21CC..  trans-73.2117.7175.3-63.1163.8000109.4V1103 T1105 D1129 H1133 A1138 V1141 L1145V1103-I1131 HydrophobicContact CG1-CD1 4.01Å; V1103-I1131 HydrophobicContact CG1-CG1 4.08Å; V1103-I1131 PolarHBondContact O-N 3.26Å; T1105-I1131 HydrophobicContact CG2-CB 4.47Å; T1105-I1131 HydrophobicContact CG2-CG2 3.7Å; D1129-I1131 WeakPolarHBondContact OD1-CB 3.37Å; D1129-I1131 VanDerWaalsContact OD1-CD1 3.3Å; D1129-I1131 WeakPolarHBondContact OD1-CD1 3.34Å; D1129-I1131 WeakPolarHBondContact OD1-CG1 3.46Å; D1129-I1131 PolarHBondContact OD1-N 3.06Å; I1131-H1133 WeakPolarHBondContact CG2-ND1 3.27Å; I1131-H1133 PolarHBondContact O-CD2 2.95Å; I1131-H1133 VanDerWaalsContact O-CD2 3.28Å; I1131-H1133 PolarHBondContact O-N 2.91Å; I1131-H1133 PolarHBondContact O-NE2 2.75Å; I1131-A1138 HydrophobicContact CG2-CB 3.54Å; I1131-V1141 HydrophobicContact CD1-CB 4.02Å; I1131-V1141 HydrophobicContact CD1-CG1 3.44Å; I1131-V1141 VanDerWaalsContact CD1-CG1 3.44Å; I1131-V1141 HydrophobicContact CG1-CB 4.44Å; I1131-V1141 HydrophobicContact CG1-CG1 3.88Å; I1131-L1145 HydrophobicContact CD1-CD1 3.73Å
1132D67Low79.7Confident63 Ų6340.2 Ų40.234%0.33721%0.206SC..  trans-71.494.4167-178.827.5000110.9R339 T1105 N1130 S1134 H1135R339-D1132 IonicContact NE-OD1 3.58Å; R339-D1132 IonicContact NH2-OD1 2.66Å; T1105-D1132 HydrophobicContact CG2-CB 3.96Å; T1105-D1132 VanDerWaalsContact CG2-N 3.34Å; T1105-D1132 VanDerWaalsContact CG2-O 3.22Å; T1105-D1132 WeakPolarHBondContact CG2-O 3.29Å; N1130-D1132 PolarHBondContact O-N 2.72Å; D1132-S1134 PolarHBondContact O-N 2.75Å; D1132-S1134 VanDerWaalsContact O-N 3.1Å; D1132-S1134 PolarHBondContact OD1-OG 2.86Å; D1132-S1134 VanDerWaalsContact OD1-OG 3.11Å; D1132-S1134 PolarHBondContact OD2-OG 3.2Å; D1132-H1135 VanDerWaalsContact O-CB 3.24Å; D1132-H1135 WeakPolarHBondContact O-CB 3.26Å; D1132-H1135 PolarHBondContact O-N 3.27Å
1133H66.5Low79.4Confident29 Ų2938.9 Ų38.913%0.13421%0.214CC..THydrogen-bonded Turntrans-70.51.4-173.5-53.7-68.9000115.6R339 D1129 I1131 K1142R339-H1133 HydrophobicContact CG-CB 4.32Å; D1129-H1133 IonicContact OD2-CE1 3.51Å; D1129-H1133 IonicContact OD2-NE2 3.22Å; I1131-H1133 WeakPolarHBondContact CG2-ND1 3.27Å; I1131-H1133 PolarHBondContact O-CD2 2.95Å; I1131-H1133 VanDerWaalsContact O-CD2 3.28Å; I1131-H1133 PolarHBondContact O-N 2.91Å; I1131-H1133 PolarHBondContact O-NE2 2.75Å; H1133-K1142 VanDerWaalsContact CE1-CE 3.43Å; H1133-K1142 WeakPolarHBondContact CE1-CE 3.16Å; H1133-K1142 PolarHBondContact CE1-NZ 3.28Å; H1133-K1142 VanDerWaalsContact CE1-NZ 3.28Å; H1133-K1142 PolarHBondContact ND1-NZ 3.12Å
1134S59.1Low79.3Confident53 Ų5338.6 Ų38.637%0.37122%0.215SC..THydrogen-bonded Turntrans-81.5-21.8163.5650000112D1132 K1136D1132-S1134 PolarHBondContact O-N 2.75Å; D1132-S1134 VanDerWaalsContact O-N 3.1Å; D1132-S1134 PolarHBondContact OD1-OG 2.86Å; D1132-S1134 VanDerWaalsContact OD1-OG 3.11Å; D1132-S1134 PolarHBondContact OD2-OG 3.2Å; S1134-K1136 PolarHBondContact O-N 3.17Å
1135H72.7Confident79.1Confident72 Ų7238.7 Ų38.733%0.33322%0.216SC..SBendtrans-70.3131.1-178.5-166-111.9000111.3T1105 D1132 D1137 A1138T1105-H1135 HydrophobicContact CG2-CB 3.68Å; D1132-H1135 VanDerWaalsContact O-CB 3.24Å; D1132-H1135 WeakPolarHBondContact O-CB 3.26Å; D1132-H1135 PolarHBondContact O-N 3.27Å; H1135-D1137 IonicContact CE1-OD2 3.29Å; H1135-D1137 PolarHBondContact CE1-OD2 2.74Å; H1135-D1137 IonicContact ND1-OD2 3.19Å; H1135-D1137 PolarHBondContact O-N 3.31Å; H1135-A1138 WeakPolarHBondContact O-CB 3.38Å; H1135-A1138 PolarHBondContact O-N 2.99Å
1136K78.3Confident79Confident161 Ų16144.2 Ų44.270%0.724%0.236SC*.THydrogen-bonded Turntrans-44.6-30.8179.268.3-174.1-177.3179.70115.8S1134 P1139S1134-K1136 PolarHBondContact O-N 3.17Å; K1136-P1139 WeakPolarHBondContact O-CD 3.4Å
1137D79.3Confident79.1Confident56 Ų5648.7 Ų48.730%0.29926%0.26SS..THydrogen-bonded Turntrans-91-8.8-175.4-58.8-43.7000112.7V1107 H1135 T1140 V1141V1107-D1137 HydrophobicContact CG2-CB 4.05Å; H1135-D1137 IonicContact CE1-OD2 3.29Å; H1135-D1137 PolarHBondContact CE1-OD2 2.74Å; H1135-D1137 IonicContact ND1-OD2 3.19Å; H1135-D1137 PolarHBondContact O-N 3.31Å; D1137-T1140 WeakPolarHBondContact O-CA 3.41Å; D1137-T1140 VanDerWaalsContact O-CB 3.26Å; D1137-T1140 WeakPolarHBondContact O-CB 3.3Å; D1137-T1140 PolarHBondContact O-N 3.11Å; D1137-V1141 PolarHBondContact O-N 3.35Å
1138A76.4Confident79.4Confident3 Ų348.6 Ų48.63%0.02526%0.26CS..Hα-helixtrans-58.4-38.2-17900000114.7T1105 I1131 H1135 T1140 V1141 K1142T1105-A1138 HydrophobicContact CG2-CB 4.25Å; I1131-A1138 HydrophobicContact CG2-CB 3.54Å; H1135-A1138 WeakPolarHBondContact O-CB 3.38Å; H1135-A1138 PolarHBondContact O-N 2.99Å; A1138-T1140 VanDerWaalsContact C-N 3.25Å; A1138-T1140 PolarHBondContact O-N 3.24Å; A1138-V1141 PolarHBondContact O-N 2.93Å; A1138-K1142 PolarHBondContact O-N 2.89Å
1139P82.3Confident80.2Confident90 Ų9048.1 Ų48.158%0.58426%0.257SS*.Hα-helixtrans-61.8-33.8172.6-23.335.3000112.7K1136 A1143K1136-P1139 WeakPolarHBondContact O-CD 3.4Å; P1139-A1143 WeakPolarHBondContact O-CB 3.33Å; P1139-A1143 PolarHBondContact O-N 2.69Å
1140T86.3Confident81.1Confident69 Ų6950.5 Ų50.542%0.42327%0.268SS..Hα-helixtrans-69.5-41.9174.9-49.20000111V1107 D1137 A1138 A1143 V1144V1107-T1140 HydrophobicContact CG1-CG2 4.16Å; V1107-T1140 HydrophobicContact CG2-CG2 4Å; D1137-T1140 WeakPolarHBondContact O-CA 3.41Å; D1137-T1140 VanDerWaalsContact O-CB 3.26Å; D1137-T1140 WeakPolarHBondContact O-CB 3.3Å; D1137-T1140 PolarHBondContact O-N 3.11Å; A1138-T1140 VanDerWaalsContact C-N 3.25Å; A1138-T1140 PolarHBondContact O-N 3.24Å; T1140-A1143 PolarHBondContact O-N 3.02Å; T1140-V1144 WeakPolarHBondContact O-CG2 3.47Å; T1140-V1144 PolarHBondContact O-N 3.28Å
1141V85.8Confident82.3Confident1 Ų151.1 Ų51.11%0.00628%0.276CS..Hα-helixtrans-63.5-42174.5-172.40000111.1V1103 V1107 V1110 I1131 D1137 A1138 A1143 V1144 L1145V1103-V1141 HydrophobicContact CG1-CG1 4.05Å; V1107-V1141 HydrophobicContact CB-CG2 4.47Å; V1107-V1141 HydrophobicContact CG2-CG2 3.64Å; V1110-V1141 HydrophobicContact CB-CG1 4.31Å; V1110-V1141 HydrophobicContact CG1-CG1 4.04Å; V1110-V1141 HydrophobicContact CG2-CG1 4.06Å; I1131-V1141 HydrophobicContact CD1-CB 4.02Å; I1131-V1141 HydrophobicContact CD1-CG1 3.44Å; I1131-V1141 VanDerWaalsContact CD1-CG1 3.44Å; I1131-V1141 HydrophobicContact CG1-CB 4.44Å; I1131-V1141 HydrophobicContact CG1-CG1 3.88Å; D1137-V1141 PolarHBondContact O-N 3.35Å; A1138-V1141 PolarHBondContact O-N 2.93Å; V1141-A1143 PolarHBondContact O-N 3.33Å; V1141-V1144 PolarHBondContact O-N 3.41Å; V1141-L1145 PolarHBondContact O-N 2.84Å
1142K84.1Confident83.2Confident34 Ų3451.9 Ų51.915%0.14828%0.279CS..Hα-helixtrans-60.8-41.1174-83.9176.11501630112.6E341 N343 H1133 A1138 L1145 R1146E341-K1142 IonicContact OE2-NZ 3.71Å; E341-K1142 PolarHBondContact OE2-NZ 2.66Å; N343-K1142 WeakPolarHBondContact OD1-CE 3.39Å; H1133-K1142 VanDerWaalsContact CE1-CE 3.43Å; H1133-K1142 WeakPolarHBondContact CE1-CE 3.16Å; H1133-K1142 PolarHBondContact CE1-NZ 3.28Å; H1133-K1142 VanDerWaalsContact CE1-NZ 3.28Å; H1133-K1142 PolarHBondContact ND1-NZ 3.12Å; A1138-K1142 PolarHBondContact O-N 2.89Å; K1142-L1145 PolarHBondContact O-N 2.66Å; K1142-R1146 WeakPolarHBondContact O-CB 3.21Å; K1142-R1146 PolarHBondContact O-N 3.47Å
1143A86.6Confident84.5Confident62 Ų6249.1 Ų49.151%0.51226%0.264SS..Hα-helixtrans-63.6-39.7173.400000112.5P1139 T1140 V1141 R1146 D1147P1139-A1143 WeakPolarHBondContact O-CB 3.33Å; P1139-A1143 PolarHBondContact O-N 2.69Å; T1140-A1143 PolarHBondContact O-N 3.02Å; V1141-A1143 PolarHBondContact O-N 3.33Å; A1143-R1146 PolarHBondContact O-N 2.86Å; A1143-D1147 WeakPolarHBondContact O-CB 3.36Å; A1143-D1147 PolarHBondContact O-N 2.85Å
1144V90.9Very high85.7Confident28 Ų2851.7 Ų51.717%0.1728%0.284CS..Hα-helixtrans-69.2-40.1176.8166.30000112.5V1110 V1111 L1114 T1140 V1141 R1146 D1147 F1148V1110-V1144 HydrophobicContact CG1-CG1 4.39Å; V1111-V1144 HydrophobicContact CG2-CG1 3.84Å; V1111-V1144 HydrophobicContact CG2-CG2 4.34Å; L1114-V1144 HydrophobicContact CD1-CG1 3.83Å; T1140-V1144 WeakPolarHBondContact O-CG2 3.47Å; T1140-V1144 PolarHBondContact O-N 3.28Å; V1141-V1144 PolarHBondContact O-N 3.41Å; V1144-R1146 VanDerWaalsContact C-N 3.35Å; V1144-D1147 PolarHBondContact O-N 3.48Å; V1144-F1148 WeakPolarHBondContact O-CB 3.18Å; V1144-F1148 PolarHBondContact O-N 2.88Å
1145L90.3Very high87.1Confident4 Ų455.8 Ų55.82%0.02130%0.301CS..Hα-helixtrans-60.1-46171.9-83.6176.7000111.2V1103 L1114 L1127 I1131 V1141 K1142 F1148 Y1149V1103-L1145 HydrophobicContact CG1-CD1 4.16Å; V1103-L1145 HydrophobicContact CG1-CD2 4.12Å; V1103-L1145 HydrophobicContact CG1-CG 4.29Å; V1103-L1145 HydrophobicContact CG2-CD2 4.2Å; L1114-L1145 HydrophobicContact CD1-CD2 4.21Å; L1114-L1145 HydrophobicContact CD2-CD2 4.39Å; L1127-L1145 HydrophobicContact CD1-CD2 4.33Å; I1131-L1145 HydrophobicContact CD1-CD1 3.73Å; V1141-L1145 PolarHBondContact O-N 2.84Å; K1142-L1145 PolarHBondContact O-N 2.66Å; L1145-F1148 WeakPolarHBondContact O-CB 3.3Å; L1145-F1148 PolarHBondContact O-N 3.47Å; L1145-Y1149 HydrophobicContact CB-CE2 4.36Å; L1145-Y1149 WeakPolarHBondContact O-CD2 3.49Å; L1145-Y1149 PolarHBondContact O-N 3.1Å
1146R89.6Confident87.8Confident119 Ų11956.7 Ų56.745%0.44931%0.313SS..Hα-helixtrans-65-41.5178.5-177.2177.4171143.99.7112.4K1142 A1143 V1144 F1148 Y1149 E1150K1142-R1146 WeakPolarHBondContact O-CB 3.21Å; K1142-R1146 PolarHBondContact O-N 3.47Å; A1143-R1146 PolarHBondContact O-N 2.86Å; V1144-R1146 VanDerWaalsContact C-N 3.35Å; R1146-F1148 VanDerWaalsContact C-N 3.33Å; R1146-Y1149 PolarHBondContact O-N 3.42Å; R1146-E1150 HydrophobicContact CG-CG 4.41Å; R1146-E1150 IonicContact CZ-OE1 2.66Å; R1146-E1150 IonicContact NE-OE1 2.99Å; R1146-E1150 PolarHBondContact NE-OE1 2.94Å; R1146-E1150 IonicContact NH2-OE1 3.19Å; R1146-E1150 PolarHBondContact NH2-OE1 3Å; R1146-E1150 WeakPolarHBondContact O-CB 3.49Å; R1146-E1150 PolarHBondContact O-N 3.49Å
1147D92.1Very high88.3Confident93 Ų9349.5 Ų49.550%0.49728%0.283SS..Hα-helixtrans-59.2-43.4171.8171.578.7000111.4R1118 A1143 V1144 S1151R1118-D1147 IonicContact CZ-OD2 3.81Å; R1118-D1147 IonicContact NH1-OD2 2.66Å; R1118-D1147 IonicContact NH2-OD2 2.69Å; R1118-D1147 PolarHBondContact NH2-OD2 3.23Å; A1143-D1147 WeakPolarHBondContact O-CB 3.36Å; A1143-D1147 PolarHBondContact O-N 2.85Å; V1144-D1147 PolarHBondContact O-N 3.48Å; D1147-S1151 WeakPolarHBondContact O-CB 3.44Å; D1147-S1151 PolarHBondContact O-N 2.66Å; D1147-S1151 PolarHBondContact O-OG 3.38Å
1148F93.1Very high88.7Confident1 Ų150.4 Ų50.40%0.00429%0.285CS..Hα-helixtrans-59-50172.9170.5-92.5000112.1L1114 I1117 R1118 L1127 V1144 L1145 R1146 S1151 M1152L1114-F1148 HydrophobicContact CB-CD2 3.77Å; L1114-F1148 HydrophobicContact CB-CE2 4.27Å; L1114-F1148 HydrophobicContact CB-CG 4.25Å; L1114-F1148 HydrophobicContact CD1-CB 3.94Å; L1114-F1148 HydrophobicContact CD1-CG 4.22Å; L1114-F1148 HydrophobicContact CD2-CB 4.45Å; L1114-F1148 HydrophobicContact CD2-CD1 3.95Å; L1114-F1148 HydrophobicContact CD2-CD2 3.95Å; L1114-F1148 HydrophobicContact CD2-CE1 4.18Å; L1114-F1148 HydrophobicContact CD2-CE2 4.16Å; L1114-F1148 HydrophobicContact CD2-CG 3.84Å; L1114-F1148 HydrophobicContact CD2-CZ 4.28Å; L1114-F1148 HydrophobicContact CG-CD2 4.29Å; L1114-F1148 HydrophobicContact CG-CG 4.32Å; I1117-F1148 HydrophobicContact CB-CE2 4.16Å; I1117-F1148 HydrophobicContact CB-CZ 4.34Å; I1117-F1148 HydrophobicContact CG2-CE2 3.95Å; I1117-F1148 HydrophobicContact CG2-CZ 3.79Å; R1118-F1148 HydrophobicContact CG-CD2 4.03Å; R1118-F1148 HydrophobicContact CG-CE2 4.03Å; L1127-F1148 HydrophobicContact CD1-CD1 4.03Å; L1127-F1148 HydrophobicContact CD1-CE1 3.62Å; L1127-F1148 HydrophobicContact CD1-CZ 4.37Å; V1144-F1148 WeakPolarHBondContact O-CB 3.18Å; V1144-F1148 PolarHBondContact O-N 2.88Å; L1145-F1148 WeakPolarHBondContact O-CB 3.3Å; L1145-F1148 PolarHBondContact O-N 3.47Å; R1146-F1148 VanDerWaalsContact C-N 3.33Å; F1148-S1151 WeakPolarHBondContact CA-OG 3.46Å; F1148-S1151 PolarHBondContact O-N 3.12Å; F1148-S1151 PolarHBondContact O-OG 3.18Å; F1148-M1152 HydrophobicContact CD2-CG 4.3Å; F1148-M1152 HydrophobicContact CE1-CG 4.22Å; F1148-M1152 HydrophobicContact CE2-CG 3.87Å; F1148-M1152 HydrophobicContact CE2-SD 4.46Å; F1148-M1152 HydrophobicContact CZ-CG 3.82Å; F1148-M1152 WeakPolarHBondContact O-CG 3.45Å; F1148-M1152 PolarHBondContact O-N 2.8Å
1149Y93Very high89.4Confident2 Ų250.3 Ų50.31%0.00828%0.284CS..Hα-helixtrans-63.6-45.3179.2-67.3-35.4000113.4E345 Y348 M427 L1127 L1145 R1146 S1151 M1152 F1153E345-Y1149 HydrophobicContact CG-CE2 4.06Å; E345-Y1149 WeakPolarHBondContact CG-OH 3.44Å; Y348-Y1149 AromaticContact CD2-CD2 3.77Å; Y348-Y1149 HydrophobicContact CD2-CD2 3.77Å; Y348-Y1149 AromaticContact CD2-CG 3.86Å; Y348-Y1149 HydrophobicContact CD2-CG 3.86Å; Y348-Y1149 HydrophobicContact CE2-CD2 4.2Å; Y348-Y1149 HydrophobicContact CE2-CG 4.43Å; Y348-Y1149 HydrophobicContact CG-CD2 4.33Å; Y348-Y1149 AromaticContact CG-CG 3.95Å; Y348-Y1149 HydrophobicContact CG-CG 3.95Å; M427-Y1149 HydrophobicContact CE-CD1 3.66Å; M427-Y1149 HydrophobicContact CE-CE1 3.26Å; M427-Y1149 HydrophobicContact SD-CD1 3.96Å; M427-Y1149 HydrophobicContact SD-CE1 3.67Å; L1127-Y1149 HydrophobicContact CD1-CE1 3.82Å; L1145-Y1149 HydrophobicContact CB-CE2 4.36Å; L1145-Y1149 WeakPolarHBondContact O-CD2 3.49Å; L1145-Y1149 PolarHBondContact O-N 3.1Å; R1146-Y1149 PolarHBondContact O-N 3.42Å; Y1149-S1151 VanDerWaalsContact C-N 3.28Å; Y1149-S1151 PolarHBondContact O-N 2.91Å; Y1149-M1152 PolarHBondContact O-N 3.17Å; Y1149-F1153 PolarHBondContact O-N 2.95Å
1150E91.6Very high89.8Confident65 Ų6546.6 Ų46.630%0.30426%0.259SS..Hα-helixtrans-66.7-28.5174.9-69.5-167.8-153.400111.6Y348 R1146 P1154Y348-E1150 HydrophobicContact CE1-CG 4.08Å; R1146-E1150 HydrophobicContact CG-CG 4.41Å; R1146-E1150 IonicContact CZ-OE1 2.66Å; R1146-E1150 IonicContact NE-OE1 2.99Å; R1146-E1150 PolarHBondContact NE-OE1 2.94Å; R1146-E1150 IonicContact NH2-OE1 3.19Å; R1146-E1150 PolarHBondContact NH2-OE1 3Å; R1146-E1150 WeakPolarHBondContact O-CB 3.49Å; R1146-E1150 PolarHBondContact O-N 3.49Å; E1150-P1154 WeakPolarHBondContact O-CA 3.49Å; E1150-P1154 VanDerWaalsContact O-CB 3.3Å; E1150-P1154 WeakPolarHBondContact O-CB 3.46Å; E1150-P1154 WeakPolarHBondContact O-CD 3.33Å
1151S92.1Very high89.7Confident60 Ų6045 Ų4542%0.4225%0.248SC..Hα-helixtrans-73.9-35.4174.373.90000114R1118 D1147 F1148 Y1149R1118-S1151 PolarHBondContact NE-OG 2.87Å; R1118-S1151 PolarHBondContact NH2-OG 2.9Å; R1118-S1151 VanDerWaalsContact NH2-OG 3.11Å; D1147-S1151 WeakPolarHBondContact O-CB 3.44Å; D1147-S1151 PolarHBondContact O-N 2.66Å; D1147-S1151 PolarHBondContact O-OG 3.38Å; F1148-S1151 WeakPolarHBondContact CA-OG 3.46Å; F1148-S1151 PolarHBondContact O-N 3.12Å; F1148-S1151 PolarHBondContact O-OG 3.18Å; Y1149-S1151 VanDerWaalsContact C-N 3.28Å; Y1149-S1151 PolarHBondContact O-N 2.91Å
1152M91Very high89.6Confident25 Ų2548.5 Ų48.512%0.12327%0.271CS..Hα-helixtrans-82.5-35178.9-71.2-69.8-71.600112.7K355 I1125 F1148 Y1149K355-M1152 PolarHBondContact NZ-O 3.03Å; I1125-M1152 HydrophobicContact CD1-CE 4.28Å; F1148-M1152 HydrophobicContact CD2-CG 4.3Å; F1148-M1152 HydrophobicContact CE1-CG 4.22Å; F1148-M1152 HydrophobicContact CE2-CG 3.87Å; F1148-M1152 HydrophobicContact CE2-SD 4.46Å; F1148-M1152 HydrophobicContact CZ-CG 3.82Å; F1148-M1152 WeakPolarHBondContact O-CG 3.45Å; F1148-M1152 PolarHBondContact O-N 2.8Å; Y1149-M1152 PolarHBondContact O-N 3.17Å
1153F93.3Very high89.4Confident5 Ų555.5 Ų55.52%0.02230%0.296CS..  trans-134.961.7-173.1-49-69.5000111.8Y348 R351 S352 K355 H356 M427 F428 Y1149 L1155Y348-F1153 HydrophobicContact CD1-CB 4.3Å; R351-F1153 HydrophobicContact CB-CB 3.88Å; R351-F1153 HydrophobicContact CB-CG 4.34Å; R351-F1153 WeakPolarHBondContact CD-O 3.3Å; R351-F1153 PolarHBondContact NH1-O 2.96Å; S352-F1153 VanDerWaalsContact CB-CE1 3.47Å; K355-F1153 HydrophobicContact CD-CD1 3.81Å; K355-F1153 HydrophobicContact CD-CE1 4.16Å; H356-F1153 AromaticContact CD2-CE1 3.95Å; M427-F1153 HydrophobicContact SD-CE2 3.73Å; F428-F1153 VanDerWaalsContact O-CZ 3.32Å; F428-F1153 WeakPolarHBondContact O-CZ 3.48Å; Y1149-F1153 PolarHBondContact O-N 2.95Å; F1153-L1155 VanDerWaalsContact C-N 3.33Å; F1153-L1155 PolarHBondContact O-N 3.31Å
1154P90.9Very high89Confident83 Ų8359.9 Ų59.954%0.53931%0.306SS..  trans-67-29.7-174.224.3-34.2000114.1E1150E1150-P1154 WeakPolarHBondContact O-CA 3.49Å; E1150-P1154 VanDerWaalsContact O-CB 3.3Å; E1150-P1154 WeakPolarHBondContact O-CB 3.46Å; E1150-P1154 WeakPolarHBondContact O-CD 3.33Å
1155L88.6Confident88.3Confident138 Ų13866 Ų6672%0.72333%0.327SS*.SBendtrans-82.3133.9-178.9-59.1179.8000110.9R351 F1153R351-L1155 VanDerWaalsContact CD-O 3.26Å; R351-L1155 WeakPolarHBondContact CD-O 3.48Å; R351-L1155 PolarHBondContact NE-O 3.13Å; F1153-L1155 VanDerWaalsContact C-N 3.33Å; F1153-L1155 PolarHBondContact O-N 3.31Å
1156P88.5Confident87.9Confident91 Ų9175 Ų7559%0.59136%0.361SS*.PPolyproline II helixtrans-69.7146.5172.230.9-34.3000111.4E1160P1156-E1160 WeakPolarHBondContact CA-OE1 3.28Å
1157S89.2Confident87.6Confident10 Ų1070.8 Ų70.87%0.0735%0.347CS..PPolyproline II helixtrans-81.2159.4174.764.70000111.9F1159 E1160S1157-F1159 PolarHBondContact O-N 2.86Å; S1157-E1160 PolarHBondContact N-OE1 3.48Å; S1157-E1160 PolarHBondContact O-N 3.31Å; S1157-E1160 VanDerWaalsContact O-N 3.12Å; S1157-E1160 PolarHBondContact OG-OE1 2.8Å; S1157-E1160 VanDerWaalsContact OG-OE1 3.07Å
1158Q86.5Confident87.2Confident76 Ų7675.8 Ų75.836%0.35536%0.359SS..THydrogen-bonded Turntrans-64.4-8172.864.6167.3-72.800114.1E354 N376 N379E354-Q1158 WeakPolarHBondContact OE1-CG 3.38Å; E354-Q1158 PolarHBondContact OE1-NE2 3.44Å; N376-Q1158 PolarHBondContact ND2-O 3.17Å; N379-Q1158 PolarHBondContact ND2-O 2.9Å; N379-Q1158 PolarHBondContact ND2-OE1 3.3Å
1159F91.1Very high87Confident0 Ų077.4 Ų77.40%037%0.366CS..THydrogen-bonded Turntrans-89.6-2.9178-43.3-52.7000112.7L350 E354 I363 N376 R381 V382 S1157L350-F1159 HydrophobicContact CB-CD2 4.17Å; L350-F1159 HydrophobicContact CD1-CB 4.22Å; E354-F1159 HydrophobicContact CB-CE2 4.02Å; E354-F1159 HydrophobicContact CG-CE2 4.46Å; E354-F1159 WeakPolarHBondContact OE2-CZ 3.37Å; I363-F1159 HydrophobicContact CD1-CD2 4.1Å; I363-F1159 HydrophobicContact CD1-CE1 4.25Å; I363-F1159 HydrophobicContact CD1-CE2 3.5Å; I363-F1159 VanDerWaalsContact CD1-CE2 3.5Å; I363-F1159 HydrophobicContact CD1-CZ 3.57Å; N376-F1159 WeakPolarHBondContact CB-O 2.97Å; N376-F1159 PolarHBondContact N-O 3.12Å; R381-F1159 HydrophobicContact CB-CE1 4.07Å; V382-F1159 HydrophobicContact CG2-CB 4.12Å; V382-F1159 HydrophobicContact CG2-CD1 3.26Å; V382-F1159 HydrophobicContact CG2-CE1 3.86Å; V382-F1159 HydrophobicContact CG2-CG 3.87Å; S1157-F1159 PolarHBondContact O-N 2.86Å
1160E90.4Very high86.7Confident13 Ų1381.2 Ų81.26%0.06139%0.386CS..BIsolated β-bridgetrans-100145.8176.5-69.6167.2-11000112R347 R351 W374 P1156 S1157R347-E1160 HydrophobicContact CG-CG 4.22Å; R347-E1160 IonicContact CZ-OE2 3.85Å; R347-E1160 VanDerWaalsContact CZ-OE2 3.22Å; R347-E1160 IonicContact NE-OE2 2.83Å; R347-E1160 PolarHBondContact NE-OE2 2.85Å; R347-E1160 IonicContact NH2-OE2 3.13Å; R347-E1160 PolarHBondContact NH2-OE2 3.28Å; R351-E1160 WeakPolarHBondContact CG-OE1 3.3Å; R351-E1160 IonicContact CZ-OE1 2.83Å; R351-E1160 IonicContact CZ-OE2 3.76Å; R351-E1160 IonicContact NE-OE1 2.75Å; R351-E1160 PolarHBondContact NE-OE1 3.24Å; R351-E1160 IonicContact NE-OE2 3.91Å; R351-E1160 IonicContact NH2-OE1 2.75Å; R351-E1160 IonicContact NH2-OE2 2.7Å; R351-E1160 PolarHBondContact NH2-OE2 3.43Å; W374-E1160 HydrophobicContact CE3-CG 4Å; W374-E1160 HydrophobicContact CZ3-CG 4.36Å; P1156-E1160 WeakPolarHBondContact CA-OE1 3.28Å; S1157-E1160 PolarHBondContact N-OE1 3.48Å; S1157-E1160 PolarHBondContact O-N 3.31Å; S1157-E1160 VanDerWaalsContact O-N 3.12Å; S1157-E1160 PolarHBondContact OG-OE1 2.8Å; S1157-E1160 VanDerWaalsContact OG-OE1 3.07Å
1161L86Confident86.6Confident35 Ų3580.4 Ų80.418%0.18338%0.382CS..PPolyproline II helixtrans-72.2151.9162.8-64.2173.3000110.2W374 N376W374-L1161 PolarHBondContact O-N 3.24Å; N376-L1161 HydrophobicContact CB-CD2 4.16Å
1162P83.8Confident86.5Confident75 Ų7578.3 Ų78.349%0.48737%0.366SS..PPolyproline II helixtrans-59.3152.1170.4-16.529.1000110.9E1164 Y1165P1162-E1164 WeakPolarHBondContact CB-OE2 3.35Å; P1162-E1164 PolarHBondContact O-N 3.17Å; P1162-Y1165 HydrophobicContact CB-CD2 4.02Å; P1162-Y1165 HydrophobicContact CG-CD2 4.13Å; P1162-Y1165 PolarHBondContact O-N 3.39Å
1163R77.9Confident86.4Confident181 Ų18183.2 Ų83.268%0.68339%0.389SS*.THydrogen-bonded Turntrans-59.7-20.1-167.3-68.9-176.4174.1-158.6-3.6114.2
1164E78.6Confident86.2Confident153 Ų15387 Ų8772%0.71541%0.406SS*.THydrogen-bonded Turntrans-82.7-16.4-179.8-5468.9-148.300112.9P1162P1162-E1164 WeakPolarHBondContact CB-OE2 3.35Å; P1162-E1164 PolarHBondContact O-N 3.17Å
1165Y77Confident86.1Confident156 Ų15683.5 Ų83.561%0.61238%0.383SS*.  trans-113.2153.7-174.6-63.6-92.3000111.8P1162P1162-Y1165 HydrophobicContact CB-CD2 4.02Å; P1162-Y1165 HydrophobicContact CG-CD2 4.13Å; P1162-Y1165 PolarHBondContact O-N 3.39Å
1166R82.7Confident86.1Confident195 Ų19581.6 Ų81.674%0.73637%0.371SS*.  trans-142.4157.4171.7-67-172.3179.5-160.4-4.2109.8S373 R1168S373-R1166 CarbonylContact O-C 3.43Å; S373-R1166 VanDerWaalsContact O-CA 3.28Å; S373-R1166 WeakPolarHBondContact O-CA 3.35Å; S373-R1166 WeakPolarHBondContact O-CB 3.45Å; R1166-R1168 PolarHBondContact O-N 3.2Å
1167N83.3Confident86.2Confident30 Ų3083.1 Ų83.116%0.1637%0.374CS..  trans-59130.3171.1-82-43.8000110.7I371 P372 S373 L375 F1169I371-N1167 HydrophobicContact CG2-CB 4.49Å; P372-N1167 PolarHBondContact O-ND2 2.64Å; S373-N1167 PolarHBondContact O-N 2.84Å; L375-N1167 PolarHBondContact O-ND2 2.82Å; L375-N1167 PolarHBondContact O-OD1 3.21Å; N1167-F1169 VanDerWaalsContact C-N 3.33Å
1168R82.9Confident86.2Confident198 Ų19887 Ų8775%0.74739%0.387SS*.SBendtrans-71.9-29.8175.9175.3177.2175.5171.41.9112.6R1166R1166-R1168 PolarHBondContact O-N 3.2Å
1169F88.1Confident86.3Confident34 Ų3487.8 Ų87.815%0.14939%0.387CS..  trans-114.3128.7-178.3-54-70.8000107.5N1167 E1174 L1175 W1178N1167-F1169 VanDerWaalsContact C-N 3.33Å; F1169-E1174 WeakPolarHBondContact CA-OE2 3.42Å; F1169-E1174 HydrophobicContact CB-CB 4.2Å; F1169-E1174 HydrophobicContact CD1-CB 3.83Å; F1169-E1174 HydrophobicContact CG-CB 4.38Å; F1169-L1175 HydrophobicContact CB-CB 4.1Å; F1169-L1175 HydrophobicContact CD2-CB 4.44Å; F1169-L1175 HydrophobicContact CD2-CD1 3.75Å; F1169-L1175 HydrophobicContact CE2-CD1 4.31Å; F1169-L1175 HydrophobicContact CG-CB 4.35Å; F1169-L1175 HydrophobicContact CG-CD1 4.47Å; F1169-W1178 HydrophobicContact CE1-CB 3.97Å; F1169-W1178 HydrophobicContact CE1-CG 4.15Å; F1169-W1178 HydrophobicContact CE2-CB 4.16Å; F1169-W1178 AromaticContact CE2-CD2 3.8Å; F1169-W1178 HydrophobicContact CE2-CD2 3.8Å; F1169-W1178 AromaticContact CE2-CE3 3.91Å; F1169-W1178 HydrophobicContact CE2-CE3 3.91Å; F1169-W1178 AromaticContact CE2-CG 3.91Å; F1169-W1178 HydrophobicContact CE2-CG 3.91Å; F1169-W1178 HydrophobicContact CZ-CB 3.59Å; F1169-W1178 AromaticContact CZ-CD1 3.72Å; F1169-W1178 AromaticContact CZ-CD2 3.7Å; F1169-W1178 HydrophobicContact CZ-CD2 3.7Å; F1169-W1178 HydrophobicContact CZ-CE3 4.28Å; F1169-W1178 AromaticContact CZ-CG 3.34Å; F1169-W1178 HydrophobicContact CZ-CG 3.34Å
1170L87.5Confident86.2Confident82 Ų8291.1 Ų91.143%0.42941%0.407SS..SBendtrans-103.2-6.6179.8-61.6-179.4000111.9Q370 I371 E1174Q370-L1170 CarbonylContact C-O 3.59Å; I371-L1170 PolarHBondContact N-O 2.86Å; L1170-E1174 PolarHBondContact N-OE2 2.84Å; L1170-E1174 VanDerWaalsContact N-OE2 3.08Å
1171H90.4Very high86.2Confident48 Ų4897.6 Ų97.622%0.22243%0.432CS..BIsolated β-bridgetrans-124146.8174.6-55.5100.5000111.9D101 G369 E1173 E1174 L1175D101-H1171 IonicContact OD1-CE1 2.57Å; D101-H1171 IonicContact OD1-NE2 3.08Å; D101-H1171 PolarHBondContact OD1-NE2 3.47Å; D101-H1171 IonicContact OD2-NE2 2.93Å; G369-H1171 CarbonylContact O-C 3.25Å; G369-H1171 WeakPolarHBondContact O-CA 3.34Å; H1171-E1173 VanDerWaalsContact C-N 3.32Å; H1171-E1173 PolarHBondContact O-N 2.84Å; H1171-E1174 HydrophobicContact CB-CG 4.02Å; H1171-E1174 IonicContact CE1-OE1 2.75Å; H1171-E1174 IonicContact CG-OE1 2.75Å; H1171-E1174 PolarHBondContact N-OE2 2.87Å; H1171-E1174 IonicContact ND1-OE1 3.56Å; H1171-E1174 PolarHBondContact ND1-OE1 3.23Å; H1171-E1174 PolarHBondContact O-N 3.46Å; H1171-L1175 PolarHBondContact O-N 2.91Å
1172M89.1Confident86.3Confident16 Ų16100 Ų1008%0.07944%0.438CS..Hα-helixtrans-64.7-36.2179.4-173.157.264.600111.9G369 I371 V384 T386 L1175 Q1176G369-M1172 WeakPolarHBondContact O-CB 3.45Å; G369-M1172 PolarHBondContact O-N 3.23Å; I371-M1172 HydrophobicContact CD1-CE 4.28Å; I371-M1172 HydrophobicContact CG1-CE 4.46Å; V384-M1172 HydrophobicContact CB-CE 3.67Å; V384-M1172 HydrophobicContact CG1-CE 3.79Å; T386-M1172 HydrophobicContact CG2-CB 4.01Å; T386-M1172 HydrophobicContact CG2-CG 3.88Å; M1172-L1175 PolarHBondContact O-N 3.31Å; M1172-L1175 HydrophobicContact SD-CD2 4.11Å; M1172-Q1176 HydrophobicContact CG-CG 4.3Å; M1172-Q1176 WeakPolarHBondContact O-CB 3.38Å; M1172-Q1176 VanDerWaalsContact O-CG 3.29Å; M1172-Q1176 WeakPolarHBondContact O-CG 3.32Å; M1172-Q1176 PolarHBondContact O-N 3.03Å; M1172-Q1176 HydrophobicContact SD-CG 4.27Å
1173E88.4Confident86.4Confident128 Ų128100 Ų10060%0.59843%0.434SS*.Hα-helixtrans-63.7-47.3178.1-60.2-171.9165.700111.5H1171 L1175 Q1176 D1177H1171-E1173 VanDerWaalsContact C-N 3.32Å; H1171-E1173 PolarHBondContact O-N 2.84Å; E1173-L1175 VanDerWaalsContact C-N 3.27Å; E1173-L1175 PolarHBondContact O-N 3.44Å; E1173-Q1176 PolarHBondContact O-N 3.09Å; E1173-D1177 WeakPolarHBondContact O-CB 3.33Å; E1173-D1177 PolarHBondContact O-N 3.37Å
1174E90.1Very high87Confident84 Ų8497.6 Ų97.639%0.39343%0.429SS..Hα-helixtrans-54.6-43.5174.1-61.8167.1-174.600112.1F1169 L1170 H1171 W1178F1169-E1174 WeakPolarHBondContact CA-OE2 3.42Å; F1169-E1174 HydrophobicContact CB-CB 4.2Å; F1169-E1174 HydrophobicContact CD1-CB 3.83Å; F1169-E1174 HydrophobicContact CG-CB 4.38Å; L1170-E1174 PolarHBondContact N-OE2 2.84Å; L1170-E1174 VanDerWaalsContact N-OE2 3.08Å; H1171-E1174 HydrophobicContact CB-CG 4.02Å; H1171-E1174 IonicContact CE1-OE1 2.75Å; H1171-E1174 IonicContact CG-OE1 2.75Å; H1171-E1174 PolarHBondContact N-OE2 2.87Å; H1171-E1174 IonicContact ND1-OE1 3.56Å; H1171-E1174 PolarHBondContact ND1-OE1 3.23Å; H1171-E1174 PolarHBondContact O-N 3.46Å; E1174-W1178 WeakPolarHBondContact O-CB 3.23Å; E1174-W1178 PolarHBondContact O-N 2.92Å
1175L88.4Confident87.5Confident11 Ų1194.3 Ų94.36%0.05842%0.416CS..Hα-helixtrans-69.5-40.4-179.917764.5000111.8I371 L377 F1169 H1171 M1172 E1173 R1179I371-L1175 HydrophobicContact CD1-CB 4.44Å; I371-L1175 HydrophobicContact CD1-CD2 3.98Å; L377-L1175 HydrophobicContact CD1-CD2 3.77Å; F1169-L1175 HydrophobicContact CB-CB 4.1Å; F1169-L1175 HydrophobicContact CD2-CB 4.44Å; F1169-L1175 HydrophobicContact CD2-CD1 3.75Å; F1169-L1175 HydrophobicContact CE2-CD1 4.31Å; F1169-L1175 HydrophobicContact CG-CB 4.35Å; F1169-L1175 HydrophobicContact CG-CD1 4.47Å; H1171-L1175 PolarHBondContact O-N 2.91Å; M1172-L1175 PolarHBondContact O-N 3.31Å; M1172-L1175 HydrophobicContact SD-CD2 4.11Å; E1173-L1175 VanDerWaalsContact C-N 3.27Å; E1173-L1175 PolarHBondContact O-N 3.44Å; L1175-R1179 HydrophobicContact CD1-CG 4.49Å; L1175-R1179 WeakPolarHBondContact O-CB 3.29Å; L1175-R1179 WeakPolarHBondContact O-CG 3.44Å; L1175-R1179 PolarHBondContact O-N 3.43Å
1176Q88.3Confident88Confident98 Ų9890.8 Ų90.846%0.45840%0.403SS..Hα-helixtrans-67.5-46.9177-74.3-177.418.400111.2M1172 E1173 W1178 R1179 V1180M1172-Q1176 HydrophobicContact CG-CG 4.3Å; M1172-Q1176 WeakPolarHBondContact O-CB 3.38Å; M1172-Q1176 VanDerWaalsContact O-CG 3.29Å; M1172-Q1176 WeakPolarHBondContact O-CG 3.32Å; M1172-Q1176 PolarHBondContact O-N 3.03Å; M1172-Q1176 HydrophobicContact SD-CG 4.27Å; E1173-Q1176 PolarHBondContact O-N 3.09Å; Q1176-W1178 VanDerWaalsContact C-N 3.33Å; Q1176-W1178 PolarHBondContact O-N 2.83Å; Q1176-R1179 PolarHBondContact O-N 3.38Å; Q1176-V1180 WeakPolarHBondContact O-CB 3.24Å; Q1176-V1180 WeakPolarHBondContact O-CG2 3.49Å; Q1176-V1180 PolarHBondContact O-N 2.95Å
1177D90.7Very high88.4Confident123 Ų12387.7 Ų87.766%0.65840%0.396SS*.Hα-helixtrans-60.3-42.4175.4-99.6-10.3000111.6E1173 V1180 Y1181E1173-D1177 WeakPolarHBondContact O-CB 3.33Å; E1173-D1177 PolarHBondContact O-N 3.37Å; D1177-V1180 PolarHBondContact O-N 2.99Å; D1177-Y1181 VanDerWaalsContact O-CB 3.3Å; D1177-Y1181 WeakPolarHBondContact O-CB 3.44Å; D1177-Y1181 PolarHBondContact O-N 3.46Å
1178W89.8Confident88.7Confident92 Ų9294.3 Ų94.335%0.34842%0.419SS..Hα-helixtrans-65.1-41.2175.2-178.979.1000112.6F1169 E1174 Q1176 Y1181 R1182F1169-W1178 HydrophobicContact CE1-CB 3.97Å; F1169-W1178 HydrophobicContact CE1-CG 4.15Å; F1169-W1178 HydrophobicContact CE2-CB 4.16Å; F1169-W1178 AromaticContact CE2-CD2 3.8Å; F1169-W1178 HydrophobicContact CE2-CD2 3.8Å; F1169-W1178 AromaticContact CE2-CE3 3.91Å; F1169-W1178 HydrophobicContact CE2-CE3 3.91Å; F1169-W1178 AromaticContact CE2-CG 3.91Å; F1169-W1178 HydrophobicContact CE2-CG 3.91Å; F1169-W1178 HydrophobicContact CZ-CB 3.59Å; F1169-W1178 AromaticContact CZ-CD1 3.72Å; F1169-W1178 AromaticContact CZ-CD2 3.7Å; F1169-W1178 HydrophobicContact CZ-CD2 3.7Å; F1169-W1178 HydrophobicContact CZ-CE3 4.28Å; F1169-W1178 AromaticContact CZ-CG 3.34Å; F1169-W1178 HydrophobicContact CZ-CG 3.34Å; E1174-W1178 WeakPolarHBondContact O-CB 3.23Å; E1174-W1178 PolarHBondContact O-N 2.92Å; Q1176-W1178 VanDerWaalsContact C-N 3.33Å; Q1176-W1178 PolarHBondContact O-N 2.83Å; W1178-Y1181 PolarHBondContact O-N 3.04Å; W1178-R1182 WeakPolarHBondContact O-CB 3.27Å; W1178-R1182 PolarHBondContact O-N 3.06Å
1179R87.6Confident88.9Confident92 Ų9288.4 Ų88.435%0.34741%0.405SS..Hα-helixtrans-60.3-49.6173.9-77167.7174.5-176-3.2110.6L1175 Q1176 Y1181 R1182 D1183L1175-R1179 HydrophobicContact CD1-CG 4.49Å; L1175-R1179 WeakPolarHBondContact O-CB 3.29Å; L1175-R1179 WeakPolarHBondContact O-CG 3.44Å; L1175-R1179 PolarHBondContact O-N 3.43Å; Q1176-R1179 PolarHBondContact O-N 3.38Å; R1179-Y1181 PolarHBondContact O-N 3.31Å; R1179-R1182 PolarHBondContact O-N 3.24Å; R1179-D1183 WeakPolarHBondContact O-CB 3.33Å; R1179-D1183 PolarHBondContact O-N 3.33Å
1180V90.3Very high88.9Confident69 Ų6991 Ų9142%0.41842%0.417SS..Hα-helixtrans-61.3-41.3177.7169.40000111.9Q1176 D1177 K1184Q1176-V1180 WeakPolarHBondContact O-CB 3.24Å; Q1176-V1180 WeakPolarHBondContact O-CG2 3.49Å; Q1176-V1180 PolarHBondContact O-N 2.95Å; D1177-V1180 PolarHBondContact O-N 2.99Å; V1180-K1184 HydrophobicContact CG1-CD 3.97Å; V1180-K1184 VanDerWaalsContact CG1-CE 3.48Å; V1180-K1184 VanDerWaalsContact CG1-NZ 3.33Å; V1180-K1184 WeakPolarHBondContact O-CB 3.39Å; V1180-K1184 WeakPolarHBondContact O-CD 3.1Å; V1180-K1184 WeakPolarHBondContact O-CG 3.46Å; V1180-K1184 PolarHBondContact O-N 2.96Å
1181Y90.2Very high89Confident149 Ų14989.3 Ų89.358%0.58441%0.411SS*.Hα-helixtrans-64.7-47.6174.5175.4-94.7000111.9D1177 W1178 R1179 D1183 K1184 L1185D1177-Y1181 VanDerWaalsContact O-CB 3.3Å; D1177-Y1181 WeakPolarHBondContact O-CB 3.44Å; D1177-Y1181 PolarHBondContact O-N 3.46Å; W1178-Y1181 PolarHBondContact O-N 3.04Å; R1179-Y1181 PolarHBondContact O-N 3.31Å; Y1181-D1183 VanDerWaalsContact C-N 3.3Å; Y1181-D1183 PolarHBondContact O-N 3.17Å; Y1181-K1184 PolarHBondContact O-N 3.39Å; Y1181-L1185 HydrophobicContact CE1-CD2 4.27Å; Y1181-L1185 WeakPolarHBondContact O-CB 3.4Å; Y1181-L1185 PolarHBondContact O-N 3.08Å
1182R86.8Confident89Confident86 Ų8690.8 Ų90.833%0.32542%0.424SS..Hα-helixtrans-59.9-40.9177.7-176.2-163.270.8-177.3-4.6111.3W1178 R1179 L1185 K1186W1178-R1182 WeakPolarHBondContact O-CB 3.27Å; W1178-R1182 PolarHBondContact O-N 3.06Å; R1179-R1182 PolarHBondContact O-N 3.24Å; R1182-L1185 CarbonylContact O-C 3.49Å; R1182-L1185 WeakPolarHBondContact O-CB 3.27Å; R1182-L1185 PolarHBondContact O-N 3.49Å; R1182-K1186 WeakPolarHBondContact O-CG 3.37Å; R1182-K1186 PolarHBondContact O-N 2.94Å
1183D87Confident88.9Confident75 Ų7592 Ų9240%0.40143%0.43SS..Hα-helixtrans-80.9-32-174.4-61.9-12.9000111R1179 Y1181 K1186 F1187R1179-D1183 WeakPolarHBondContact O-CB 3.33Å; R1179-D1183 PolarHBondContact O-N 3.33Å; Y1181-D1183 VanDerWaalsContact C-N 3.3Å; Y1181-D1183 PolarHBondContact O-N 3.17Å; D1183-K1186 PolarHBondContact O-N 3.32Å; D1183-F1187 WeakPolarHBondContact O-CB 3.42Å; D1183-F1187 PolarHBondContact O-N 2.87Å
1184K90.9Very high89Confident130 Ų13090.1 Ų90.157%0.56543%0.427SS*.Hα-helixtrans-59.8-43.5162-75.6167.2-178.6167.60111.7V1180 Y1181 F1187 W1188V1180-K1184 HydrophobicContact CG1-CD 3.97Å; V1180-K1184 VanDerWaalsContact CG1-CE 3.48Å; V1180-K1184 VanDerWaalsContact CG1-NZ 3.33Å; V1180-K1184 WeakPolarHBondContact O-CB 3.39Å; V1180-K1184 WeakPolarHBondContact O-CD 3.1Å; V1180-K1184 WeakPolarHBondContact O-CG 3.46Å; V1180-K1184 PolarHBondContact O-N 2.96Å; Y1181-K1184 PolarHBondContact O-N 3.39Å; K1184-F1187 WeakPolarHBondContact O-CB 3.42Å; K1184-F1187 PolarHBondContact O-N 3.11Å; K1184-W1188 PolarHBondContact O-N 2.97Å
1185L88.5Confident88.9Confident85 Ų8590.3 Ų90.345%0.44543%0.434SS..Hα-helixtrans-65-44.5177.5-178.463.9000111.3Y1181 R1182 F1187 W1188 T1189Y1181-L1185 HydrophobicContact CE1-CD2 4.27Å; Y1181-L1185 WeakPolarHBondContact O-CB 3.4Å; Y1181-L1185 PolarHBondContact O-N 3.08Å; R1182-L1185 CarbonylContact O-C 3.49Å; R1182-L1185 WeakPolarHBondContact O-CB 3.27Å; R1182-L1185 PolarHBondContact O-N 3.49Å; L1185-F1187 VanDerWaalsContact C-N 3.34Å; L1185-F1187 PolarHBondContact O-N 3.27Å; L1185-W1188 PolarHBondContact O-N 3.2Å; L1185-T1189 HydrophobicContact CD1-CG2 4.44Å; L1185-T1189 WeakPolarHBondContact O-CG2 3.34Å; L1185-T1189 PolarHBondContact O-N 3.2Å; L1185-T1189 PolarHBondContact O-OG1 2.8Å
1186K86.6Confident88.8Confident81 Ų8193 Ų9335%0.35245%0.448SS..Hα-helixtrans-58.1-44.4172.4-78.2-169.1172.8-164.60110.9R1182 D1183 T1189 H1190R1182-K1186 WeakPolarHBondContact O-CG 3.37Å; R1182-K1186 PolarHBondContact O-N 2.94Å; D1183-K1186 PolarHBondContact O-N 3.32Å; K1186-T1189 PolarHBondContact O-N 3.11Å; K1186-T1189 PolarHBondContact O-OG1 3.42Å; K1186-H1190 PolarHBondContact O-N 3.1Å; K1186-H1190 PolarHBondContact O-ND1 2.84Å
1187F90.9Very high88.7Confident131 Ų13191.1 Ų91.158%0.57544%0.444SS*.Hα-helixtrans-58.1-49.9175.4177.5-95.5000111.8D1183 K1184 L1185 T1189 H1190 C1191D1183-F1187 WeakPolarHBondContact O-CB 3.42Å; D1183-F1187 PolarHBondContact O-N 2.87Å; K1184-F1187 WeakPolarHBondContact O-CB 3.42Å; K1184-F1187 PolarHBondContact O-N 3.11Å; L1185-F1187 VanDerWaalsContact C-N 3.34Å; L1185-F1187 PolarHBondContact O-N 3.27Å; F1187-T1189 PolarHBondContact O-N 3.2Å; F1187-H1190 PolarHBondContact O-N 3.17Å; F1187-C1191 PolarHBondContact O-N 3.34Å; F1187-C1191 PolarHBondContact O-SG 3.37Å; F1187-C1191 VanDerWaalsContact O-SG 3.32Å
1188W90.9Very high88.4Confident169 Ų16989.2 Ų89.264%0.6444%0.436SS*.Hα-helixtrans-64.3-39.6178.4-76.8114.2000113.4K1184 L1185 C1191 V1192K1184-W1188 PolarHBondContact O-N 2.97Å; L1185-W1188 PolarHBondContact O-N 3.2Å; W1188-C1191 PolarHBondContact O-N 2.98Å; W1188-V1192 WeakPolarHBondContact O-CG2 3.34Å; W1188-V1192 PolarHBondContact O-N 2.99Å
1189T86.5Confident88.1Confident74 Ų7491.2 Ų91.245%0.45445%0.447SS..Hα-helixtrans-66.9-3617656.80000112.1L1185 K1186 F1187 V1192 L1193L1185-T1189 HydrophobicContact CD1-CG2 4.44Å; L1185-T1189 WeakPolarHBondContact O-CG2 3.34Å; L1185-T1189 PolarHBondContact O-N 3.2Å; L1185-T1189 PolarHBondContact O-OG1 2.8Å; K1186-T1189 PolarHBondContact O-N 3.11Å; K1186-T1189 PolarHBondContact O-OG1 3.42Å; F1187-T1189 PolarHBondContact O-N 3.2Å; T1189-V1192 PolarHBondContact O-N 3.16Å; T1189-L1193 WeakPolarHBondContact O-CB 3.35Å; T1189-L1193 PolarHBondContact O-N 3.37Å
1190H88.1Confident87.8Confident89 Ų8988.6 Ų88.641%0.41244%0.442SS..Hα-helixtrans-66.5-40172.2-74.673.6000111.9K1186 F1187 V1192 L1193 V1194K1186-H1190 PolarHBondContact O-N 3.1Å; K1186-H1190 PolarHBondContact O-ND1 2.84Å; F1187-H1190 PolarHBondContact O-N 3.17Å; H1190-V1192 PolarHBondContact O-N 3.48Å; H1190-L1193 PolarHBondContact O-N 2.84Å; H1190-V1194 WeakPolarHBondContact O-CB 3.41Å; H1190-V1194 VanDerWaalsContact O-CG2 3.28Å; H1190-V1194 WeakPolarHBondContact O-CG2 3.16Å; H1190-V1194 PolarHBondContact O-N 3.09Å
1191C90.1Very high87.2Confident45 Ų4589.5 Ų89.530%0.30444%0.443SS..Hα-helixtrans-61.4-41.6172.6-680000112.3F1187 W1188 T1195F1187-C1191 PolarHBondContact O-N 3.34Å; F1187-C1191 PolarHBondContact O-SG 3.37Å; F1187-C1191 VanDerWaalsContact O-SG 3.32Å; W1188-C1191 PolarHBondContact O-N 2.98Å; C1191-T1195 WeakPolarHBondContact O-CB 3.19Å; C1191-T1195 WeakPolarHBondContact O-CG2 3.5Å; C1191-T1195 PolarHBondContact O-N 3.14Å; C1191-T1195 PolarHBondContact O-OG1 2.86Å
1192V89.8Confident86.5Confident80 Ų8087.4 Ų87.449%0.48544%0.44SS..Hα-helixtrans-65.4-43.8175.11720000111.2W1188 T1189 H1190 V1194 T1195 L1196W1188-V1192 WeakPolarHBondContact O-CG2 3.34Å; W1188-V1192 PolarHBondContact O-N 2.99Å; T1189-V1192 PolarHBondContact O-N 3.16Å; H1190-V1192 PolarHBondContact O-N 3.48Å; V1192-V1194 PolarHBondContact O-N 3.4Å; V1192-T1195 WeakPolarHBondContact CA-OG1 3.43Å; V1192-T1195 PolarHBondContact O-N 3.34Å; V1192-T1195 PolarHBondContact O-OG1 3.24Å; V1192-L1196 HydrophobicContact CG1-CD1 4.01Å; V1192-L1196 HydrophobicContact CG1-CG 4.47Å; V1192-L1196 WeakPolarHBondContact O-CB 3.49Å; V1192-L1196 VanDerWaalsContact O-CG 3.31Å; V1192-L1196 WeakPolarHBondContact O-CG 3.34Å; V1192-L1196 PolarHBondContact O-N 3Å
1193L86.6Confident86Confident41 Ų4185.3 Ų85.322%0.21544%0.439CS..Hα-helixtrans-59.2-48.8175.4-165.689.3000111.4L44 V47 T1189 H1190 T1195 L1196 V1197L44-L1193 HydrophobicContact CD2-CD1 3.56Å; L44-L1193 HydrophobicContact CD2-CG 4.3Å; V47-L1193 HydrophobicContact CG1-CD1 4.01Å; T1189-L1193 WeakPolarHBondContact O-CB 3.35Å; T1189-L1193 PolarHBondContact O-N 3.37Å; H1190-L1193 PolarHBondContact O-N 2.84Å; L1193-T1195 PolarHBondContact O-N 3.02Å; L1193-L1196 PolarHBondContact O-N 2.97Å; L1193-V1197 WeakPolarHBondContact O-CG2 3.45Å; L1193-V1197 PolarHBondContact O-N 2.87Å
1194V90.3Very high85.5Confident88 Ų8890 Ų9053%0.53346%0.456SS..Hα-helixtrans-63-42.5179.4168.60000111.3H1190 V1192 V1197 V1198H1190-V1194 WeakPolarHBondContact O-CB 3.41Å; H1190-V1194 VanDerWaalsContact O-CG2 3.28Å; H1190-V1194 WeakPolarHBondContact O-CG2 3.16Å; H1190-V1194 PolarHBondContact O-N 3.09Å; V1192-V1194 PolarHBondContact O-N 3.4Å; V1194-V1197 PolarHBondContact O-N 3.07Å; V1194-V1198 HydrophobicContact CG1-CG2 4.46Å; V1194-V1198 WeakPolarHBondContact O-CB 3.21Å; V1194-V1198 WeakPolarHBondContact O-CG2 3.31Å; V1194-V1198 PolarHBondContact O-N 2.94Å
1195T89.1Confident84.8Confident89 Ų8987.9 Ų87.955%0.54645%0.447SS..Hα-helixtrans-67.9-33.917748.10000112.9C1191 V1192 L1193 F1199C1191-T1195 WeakPolarHBondContact O-CB 3.19Å; C1191-T1195 WeakPolarHBondContact O-CG2 3.5Å; C1191-T1195 PolarHBondContact O-N 3.14Å; C1191-T1195 PolarHBondContact O-OG1 2.86Å; V1192-T1195 WeakPolarHBondContact CA-OG1 3.43Å; V1192-T1195 PolarHBondContact O-N 3.34Å; V1192-T1195 PolarHBondContact O-OG1 3.24Å; L1193-T1195 PolarHBondContact O-N 3.02Å; T1195-F1199 VanDerWaalsContact O-CB 3.26Å; T1195-F1199 WeakPolarHBondContact O-CB 3.21Å; T1195-F1199 PolarHBondContact O-N 3.29Å
1196L85.6Confident84Confident66 Ų6685.6 Ų85.635%0.34644%0.44SS..Hα-helixtrans-67.2-40.7170.3-72.3170.9000112.3L44 V1192 L1193 F1199 T1200L44-L1196 HydrophobicContact CD1-CB 4.17Å; V1192-L1196 HydrophobicContact CG1-CD1 4.01Å; V1192-L1196 HydrophobicContact CG1-CG 4.47Å; V1192-L1196 WeakPolarHBondContact O-CB 3.49Å; V1192-L1196 VanDerWaalsContact O-CG 3.31Å; V1192-L1196 WeakPolarHBondContact O-CG 3.34Å; V1192-L1196 PolarHBondContact O-N 3Å; L1193-L1196 PolarHBondContact O-N 2.97Å; L1196-F1199 PolarHBondContact O-N 3.17Å; L1196-T1200 WeakPolarHBondContact O-CB 3.4Å; L1196-T1200 WeakPolarHBondContact O-CG2 3.37Å; L1196-T1200 PolarHBondContact O-N 3.39Å; L1196-T1200 PolarHBondContact O-OG1 3.3Å
1197V86.3Confident83.2Confident60 Ų6089.2 Ų89.236%0.36446%0.458SS..Hα-helixtrans-63.7-45.1174.3169.60000110.9L1193 V1194 F1199 T1200 I1201L1193-V1197 WeakPolarHBondContact O-CG2 3.45Å; L1193-V1197 PolarHBondContact O-N 2.87Å; V1194-V1197 PolarHBondContact O-N 3.07Å; V1197-F1199 PolarHBondContact O-N 3.06Å; V1197-T1200 WeakPolarHBondContact CA-OG1 3.39Å; V1197-T1200 PolarHBondContact O-N 2.84Å; V1197-T1200 PolarHBondContact O-OG1 3.25Å; V1197-I1201 HydrophobicContact CG1-CD1 3.78Å; V1197-I1201 WeakPolarHBondContact O-CB 3.43Å; V1197-I1201 VanDerWaalsContact O-CG1 3.24Å; V1197-I1201 WeakPolarHBondContact O-CG1 3.5Å; V1197-I1201 PolarHBondContact O-N 3.47Å
1198V84.1Confident82.4Confident82 Ų8289.2 Ų89.250%0.49746%0.46SS..Hα-helixtrans-62.1-441741710000111.1V1194 I1201 M1202V1194-V1198 HydrophobicContact CG1-CG2 4.46Å; V1194-V1198 WeakPolarHBondContact O-CB 3.21Å; V1194-V1198 WeakPolarHBondContact O-CG2 3.31Å; V1194-V1198 PolarHBondContact O-N 2.94Å; V1198-I1201 PolarHBondContact O-N 2.93Å; V1198-M1202 HydrophobicContact CG1-CG 4.13Å; V1198-M1202 VanDerWaalsContact O-CB 3.28Å; V1198-M1202 WeakPolarHBondContact O-CB 3.47Å; V1198-M1202 WeakPolarHBondContact O-CG 3.13Å; V1198-M1202 PolarHBondContact O-N 3.03Å
1199F84.8Confident81.3Confident134 Ų13484.1 Ų84.159%0.58845%0.445SS*.Hα-helixtrans-62.5-44.5178.4179.6-97000112.4T1195 L1196 V1197 M1202 S1203T1195-F1199 VanDerWaalsContact O-CB 3.26Å; T1195-F1199 WeakPolarHBondContact O-CB 3.21Å; T1195-F1199 PolarHBondContact O-N 3.29Å; L1196-F1199 PolarHBondContact O-N 3.17Å; V1197-F1199 PolarHBondContact O-N 3.06Å; F1199-M1202 PolarHBondContact O-N 2.9Å; F1199-S1203 VanDerWaalsContact O-CB 3.29Å; F1199-S1203 WeakPolarHBondContact O-CB 3.29Å; F1199-S1203 PolarHBondContact O-N 3.19Å
1200T79.8Confident80.5Confident38 Ų3884.6 Ų84.623%0.23344%0.444CS..Hα-helixtrans-66.5-40.9177.947.80000112.2L37 L1196 V1197 S1203 F1204L37-T1200 HydrophobicContact CD2-CG2 4.1Å; L1196-T1200 WeakPolarHBondContact O-CB 3.4Å; L1196-T1200 WeakPolarHBondContact O-CG2 3.37Å; L1196-T1200 PolarHBondContact O-N 3.39Å; L1196-T1200 PolarHBondContact O-OG1 3.3Å; V1197-T1200 WeakPolarHBondContact CA-OG1 3.39Å; V1197-T1200 PolarHBondContact O-N 2.84Å; V1197-T1200 PolarHBondContact O-OG1 3.25Å; T1200-S1203 PolarHBondContact O-N 2.93Å; T1200-F1204 VanDerWaalsContact O-CB 3.32Å; T1200-F1204 WeakPolarHBondContact O-CB 3.37Å; T1200-F1204 PolarHBondContact O-N 2.77Å
1201I77.9Confident79.6Confident87 Ų8785.3 Ų85.345%0.44645%0.45SS..Hα-helixtrans-60.5-50.6171.2-69.6167.7000110.8V1197 V1198 S1203 F1204 F1205V1197-I1201 HydrophobicContact CG1-CD1 3.78Å; V1197-I1201 WeakPolarHBondContact O-CB 3.43Å; V1197-I1201 VanDerWaalsContact O-CG1 3.24Å; V1197-I1201 WeakPolarHBondContact O-CG1 3.5Å; V1197-I1201 PolarHBondContact O-N 3.47Å; V1198-I1201 PolarHBondContact O-N 2.93Å; I1201-S1203 PolarHBondContact O-N 3.12Å; I1201-F1204 PolarHBondContact O-N 3.22Å; I1201-F1205 HydrophobicContact CG2-CD2 4.02Å; I1201-F1205 WeakPolarHBondContact O-CD2 3.23Å; I1201-F1205 PolarHBondContact O-N 2.89Å
1202M75.7Confident78.6Confident106 Ų10687.8 Ų87.852%0.52246%0.46SS..Hα-helixtrans-61.2-32.4179.6-73.6-67.3-62.500112.6V1198 F1199 A1206 L1209V1198-M1202 HydrophobicContact CG1-CG 4.13Å; V1198-M1202 VanDerWaalsContact O-CB 3.28Å; V1198-M1202 WeakPolarHBondContact O-CB 3.47Å; V1198-M1202 WeakPolarHBondContact O-CG 3.13Å; V1198-M1202 PolarHBondContact O-N 3.03Å; F1199-M1202 PolarHBondContact O-N 2.9Å; M1202-A1206 VanDerWaalsContact O-CA 3.3Å; M1202-A1206 WeakPolarHBondContact O-CA 3.34Å; M1202-A1206 WeakPolarHBondContact O-CB 3.41Å; M1202-A1206 PolarHBondContact O-N 3.1Å; M1202-L1209 HydrophobicContact CE-CD1 4.01Å; M1202-L1209 HydrophobicContact SD-CD1 3.57Å; M1202-L1209 VanDerWaalsContact SD-CD1 3.57Å
1203S75.4Confident77.7Confident42 Ų4290.8 Ų90.829%0.29447%0.467SS..Hα-helixtrans-76.9-44.1176.3-1680000112.3F1199 T1200 I1201 A1206F1199-S1203 VanDerWaalsContact O-CB 3.29Å; F1199-S1203 WeakPolarHBondContact O-CB 3.29Å; F1199-S1203 PolarHBondContact O-N 3.19Å; T1200-S1203 PolarHBondContact O-N 2.93Å; I1201-S1203 PolarHBondContact O-N 3.12Å; S1203-A1206 VanDerWaalsContact O-CB 3.24Å; S1203-A1206 WeakPolarHBondContact O-CB 3.49Å; S1203-A1206 PolarHBondContact O-N 3Å
1204F77.1Confident76.7Confident172 Ų17297.1 Ų97.175%0.75449%0.488SS*.Hα-helixtrans-68.9-39.6-179.5-165.6-92.5000112.5T1200 I1201 A1206T1200-F1204 VanDerWaalsContact O-CB 3.32Å; T1200-F1204 WeakPolarHBondContact O-CB 3.37Å; T1200-F1204 PolarHBondContact O-N 2.77Å; I1201-F1204 PolarHBondContact O-N 3.22Å; F1204-A1206 VanDerWaalsContact C-N 3.35Å
1205F75.7Confident75.6Confident87 Ų87101.5 Ų101.538%0.38250%0.5SS..THydrogen-bonded Turntrans-92.312.1176.4-66.9-82.1000113.4I1201 E1207 Q1208 L1209I1201-F1205 HydrophobicContact CG2-CD2 4.02Å; I1201-F1205 WeakPolarHBondContact O-CD2 3.23Å; I1201-F1205 PolarHBondContact O-N 2.89Å; F1205-E1207 VanDerWaalsContact C-N 3.34Å; F1205-E1207 PolarHBondContact O-N 2.98Å; F1205-Q1208 PolarHBondContact O-N 2.91Å; F1205-L1209 HydrophobicContact CB-CD1 4.01Å; F1205-L1209 HydrophobicContact CB-CG 4.19Å; F1205-L1209 WeakPolarHBondContact O-CB 3.3Å; F1205-L1209 WeakPolarHBondContact O-CG 3.22Å; F1205-L1209 PolarHBondContact O-N 2.5Å
1206A72.7Confident74.4Confident37 Ų37102.8 Ų102.831%0.30650%0.503SS..Hα-helixtrans-51-47.1-17300000113.4M1202 S1203 F1204 L1209 I1210M1202-A1206 VanDerWaalsContact O-CA 3.3Å; M1202-A1206 WeakPolarHBondContact O-CA 3.34Å; M1202-A1206 WeakPolarHBondContact O-CB 3.41Å; M1202-A1206 PolarHBondContact O-N 3.1Å; S1203-A1206 VanDerWaalsContact O-CB 3.24Å; S1203-A1206 WeakPolarHBondContact O-CB 3.49Å; S1203-A1206 PolarHBondContact O-N 3Å; F1204-A1206 VanDerWaalsContact C-N 3.35Å; A1206-L1209 PolarHBondContact O-N 3.3Å; A1206-I1210 WeakPolarHBondContact O-CB 3.48Å; A1206-I1210 WeakPolarHBondContact O-CD1 3.37Å; A1206-I1210 WeakPolarHBondContact O-CG1 3.27Å; A1206-I1210 PolarHBondContact O-N 2.77Å
1207E70.1Confident73.4Confident156 Ų156107 Ų10773%0.72952%0.518SS*.Hα-helixtrans-67.3-40.8177.6-67.5-149.7140.300112.8F1205 L1209 I1210 L1211F1205-E1207 VanDerWaalsContact C-N 3.34Å; F1205-E1207 PolarHBondContact O-N 2.98Å; E1207-L1209 VanDerWaalsContact C-N 3.33Å; E1207-L1209 PolarHBondContact O-N 3.49Å; E1207-I1210 PolarHBondContact O-N 3.01Å; E1207-L1211 WeakPolarHBondContact O-CB 3.31Å; E1207-L1211 VanDerWaalsContact O-CG 3.26Å; E1207-L1211 WeakPolarHBondContact O-CG 3.4Å; E1207-L1211 PolarHBondContact O-N 2.91Å
1208Q72.9Confident71.8Confident131 Ų131109 Ų10961%0.61253%0.532SS*.Hα-helixtrans-65.8-37.9177.3-66.3-165.66.200111.5F1205 L1211 L1212F1205-Q1208 PolarHBondContact O-N 2.91Å; Q1208-L1211 PolarHBondContact O-N 3.13Å; Q1208-L1212 VanDerWaalsContact O-CB 3.28Å; Q1208-L1212 WeakPolarHBondContact O-CB 3.49Å; Q1208-L1212 PolarHBondContact O-N 3.25Å
1209L68.1Low70.4Confident62 Ų62116.6 Ų116.633%0.32555%0.552SS.*Hα-helixtrans-69.3-36.7174.5-69.5165.4000112M1202 F1205 A1206 E1207 K1213M1202-L1209 HydrophobicContact CE-CD1 4.01Å; M1202-L1209 HydrophobicContact SD-CD1 3.57Å; M1202-L1209 VanDerWaalsContact SD-CD1 3.57Å; F1205-L1209 HydrophobicContact CB-CD1 4.01Å; F1205-L1209 HydrophobicContact CB-CG 4.19Å; F1205-L1209 WeakPolarHBondContact O-CB 3.3Å; F1205-L1209 WeakPolarHBondContact O-CG 3.22Å; F1205-L1209 PolarHBondContact O-N 2.5Å; A1206-L1209 PolarHBondContact O-N 3.3Å; E1207-L1209 VanDerWaalsContact C-N 3.33Å; E1207-L1209 PolarHBondContact O-N 3.49Å; L1209-K1213 WeakPolarHBondContact O-CB 3.38Å; L1209-K1213 PolarHBondContact O-N 3.05Å
1210I69.9Low68.8Low84 Ų84122 Ų12243%0.43157%0.568SS.*Hα-helixtrans-66.9-40172.2-72.7164.2000110.9A1206 E1207 R1214A1206-I1210 WeakPolarHBondContact O-CB 3.48Å; A1206-I1210 WeakPolarHBondContact O-CD1 3.37Å; A1206-I1210 WeakPolarHBondContact O-CG1 3.27Å; A1206-I1210 PolarHBondContact O-N 2.77Å; E1207-I1210 PolarHBondContact O-N 3.01Å; I1210-R1214 WeakPolarHBondContact O-CB 3.42Å; I1210-R1214 VanDerWaalsContact O-CG 3.22Å; I1210-R1214 WeakPolarHBondContact O-CG 3.46Å; I1210-R1214 PolarHBondContact O-N 3.38Å
1211L69.2Low67.1Low105 Ų105131.8 Ų131.855%0.5560%0.601SS.*Hα-helixtrans-66.9-44.2174.3-72.8168.2000111.5E1207 Q1208 R1214 K1215E1207-L1211 WeakPolarHBondContact O-CB 3.31Å; E1207-L1211 VanDerWaalsContact O-CG 3.26Å; E1207-L1211 WeakPolarHBondContact O-CG 3.4Å; E1207-L1211 PolarHBondContact O-N 2.91Å; Q1208-L1211 PolarHBondContact O-N 3.13Å; L1211-R1214 PolarHBondContact O-N 2.87Å; L1211-K1215 WeakPolarHBondContact O-CB 3.37Å; L1211-K1215 PolarHBondContact O-N 3.22Å
1212L69Low65.5Low96 Ų96135.6 Ų135.650%0.50362%0.622SS.*Hα-helixtrans-60.4-45.8174.6-164.182000110.6Q1208 R1214 K1215 L1216Q1208-L1212 VanDerWaalsContact O-CB 3.28Å; Q1208-L1212 WeakPolarHBondContact O-CB 3.49Å; Q1208-L1212 PolarHBondContact O-N 3.25Å; L1212-R1214 PolarHBondContact O-N 3.18Å; L1212-K1215 CarbonylContact O-C 3.53Å; L1212-K1215 PolarHBondContact O-N 2.96Å; L1212-K1215 VanDerWaalsContact O-N 3.09Å; L1212-L1216 HydrophobicContact CD2-CD1 4.12Å; L1212-L1216 HydrophobicContact CG-CD1 3.9Å; L1212-L1216 WeakPolarHBondContact O-CB 3.46Å; L1212-L1216 WeakPolarHBondContact O-CG 3.4Å; L1212-L1216 PolarHBondContact O-N 3.29Å
1213K70.6Confident64.1Low144 Ų144136.7 Ų136.763%0.62663%0.634SS**Hα-helixtrans-61.5-39.6174.7-175.9172.6-177170.70112.3L1209 K1215 F1217L1209-K1213 WeakPolarHBondContact O-CB 3.38Å; L1209-K1213 PolarHBondContact O-N 3.05Å; K1213-K1215 VanDerWaalsContact C-N 3.31Å; K1213-F1217 HydrophobicContact CG-CD2 4.34Å; K1213-F1217 WeakPolarHBondContact O-CA 3.35Å; K1213-F1217 WeakPolarHBondContact O-CB 3.47Å; K1213-F1217 PolarHBondContact O-N 3.03Å
1214R66.6Low62.3Low173 Ų173146 Ų14665%0.65366%0.663SS**Hα-helixtrans-68.5-27.9173.5-75169.9179.5-1792.2112.9I1210 L1211 L1212I1210-R1214 WeakPolarHBondContact O-CB 3.42Å; I1210-R1214 VanDerWaalsContact O-CG 3.22Å; I1210-R1214 WeakPolarHBondContact O-CG 3.46Å; I1210-R1214 PolarHBondContact O-N 3.38Å; L1211-R1214 PolarHBondContact O-N 2.87Å; L1212-R1214 PolarHBondContact O-N 3.18Å
1215K67Low60.5Low181 Ų181144.4 Ų144.479%0.78766%0.662SS**Hα-helixtrans-83.6-34.9178.9-160.9177.4-175-175.80112.7L1211 L1212 K1213L1211-K1215 WeakPolarHBondContact O-CB 3.37Å; L1211-K1215 PolarHBondContact O-N 3.22Å; L1212-K1215 CarbonylContact O-C 3.53Å; L1212-K1215 PolarHBondContact O-N 2.96Å; L1212-K1215 VanDerWaalsContact O-N 3.09Å; K1213-K1215 VanDerWaalsContact C-N 3.31Å
1216L64.7Low58.8Low116 Ų116145.1 Ų145.161%0.60768%0.678SS**Hα-helixtrans-80-34.5173.9-70.1168.1000112.6L1212 P1218L1212-L1216 HydrophobicContact CD2-CD1 4.12Å; L1212-L1216 HydrophobicContact CG-CD1 3.9Å; L1212-L1216 WeakPolarHBondContact O-CB 3.46Å; L1212-L1216 WeakPolarHBondContact O-CG 3.4Å; L1212-L1216 PolarHBondContact O-N 3.29Å; L1216-P1218 VanDerWaalsContact C-CD 3.46Å; L1216-P1218 WeakPolarHBondContact O-CD 3.49Å
1217F63.7Low57Low155 Ų155150.7 Ų150.768%0.6870%0.703SS**SBendtrans-123.173177.9-59.3-83000111.2K1213 R1219K1213-F1217 HydrophobicContact CG-CD2 4.34Å; K1213-F1217 WeakPolarHBondContact O-CA 3.35Å; K1213-F1217 WeakPolarHBondContact O-CB 3.47Å; K1213-F1217 PolarHBondContact O-N 3.03Å; F1217-R1219 PolarHBondContact O-N 3.08Å
1218P53.4Low56.7Low100 Ų100148.3 Ų148.365%0.64970%0.701SS**  trans-66.8103.8174.928-34.1000110.4L1216 R1220L1216-P1218 VanDerWaalsContact C-CD 3.46Å; L1216-P1218 WeakPolarHBondContact O-CD 3.49Å; P1218-R1220 PolarHBondContact O-N 3.28Å; P1218-R1220 VanDerWaalsContact O-N 3.15Å
1219R54.9Low55.3Low243 Ų243149.3 Ų149.392%0.91771%0.706SS**  trans-59.4117.4171.5-84.9-174.8168.2-177-4.3109.7F1217 R1221F1217-R1219 PolarHBondContact O-N 3.08Å; R1219-R1221 PolarHBondContact O-N 2.7Å
1220R50.1Low53.9Low246 Ų246156.3 Ų156.393%0.92873%0.728SS**  trans-49.7129.1161.5-96.8-178.2169.7173-3.2108.6P1218 L1222P1218-R1220 PolarHBondContact O-N 3.28Å; P1218-R1220 VanDerWaalsContact O-N 3.15Å; R1220-L1222 PolarHBondContact O-N 3.45Å
1221R45.1Very low52.5Low245 Ų245162.7 Ų162.793%0.92577%0.77SS**  trans-67.8112.6165-76.3-175.8176.2-177.6-1107.8R1219R1219-R1221 PolarHBondContact O-N 2.7Å
1222L44.6Very low51.7Low167 Ų167165.6 Ų165.687%0.87478%0.781SS**  trans-84.8118.2152.3-91.2161.4000106.8R1220R1220-L1222 PolarHBondContact O-N 3.45Å
1223T44.8Very low50.8Low129 Ų129169.2 Ų169.279%0.79180%0.796SS**  trans-64.8140.4163.336.50000109.1
1224R37.7Very low49.7Very low237 Ų237170.6 Ų170.689%0.89481%0.805SS**  trans-148.1123.2165.1174.8170164.5168.5-5.9107.4
1225D39.1Very low48.7Very low138 Ų138170.5 Ų170.574%0.73881%0.814SS**  trans-75.6-179.3-177.6-61-74.9000112.8
1226S39.9Very low47.6Very low103 Ų103169.8 Ų169.872%0.7282%0.816SS**  trans-42.5157.4168.435.20000114
1227N36.3Very low46.4Very low153 Ų153173.4 Ų173.482%0.81883%0.83SS**  cis-150.7-177.940.4-123.7-2.7000112.3
1228P63.5Low45.2Very low106 Ų106174.7 Ų174.769%0.68884%0.84SS**  trans-100.9-151.6-165.943.2-40.2000114.4
1229E42.6Very low44.6Very low153 Ų153180.5 Ų180.572%0.71586%0.855SS**  trans74.2137-164.2-66.9-171.8-14100113.5
1230R39.9Very low43.7Very low209 Ų209175.3 Ų175.379%0.78985%0.85SS**  cis-145153.714.6-130.3165.5-127.6-169.5-0.6112
1231V40.8Very low43.1Very low217 Ų217168.8 Ų168.8100%1.31584%0.843SS**  trans13.20165.1-171.70000116.9

Retrieved 1,231 of 1,231 residues in 747.2 ms (Link to these results)

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