A0A060GP82_HORSE Loading...

Tumor necrosis factor ligand superfamily member

Cytokine that binds to TNFRSF10A/TRAILR1, TNFRSF10B/TRAILR2, TNFRSF10C/TRAILR3, TNFRSF10D/TRAILR4 and possibly also to TNFRSF11B/OPG. Induces apoptosis. Its activity may be modulated by binding to the decoy receptors TNFRSF10C/TRAILR3, TNFRSF10D/TRAILR4 and TNFRSF11B/OPG that cannot induce apoptosis.

AlphaFold DB , UniProt , Accession A0A060GP82, Species HORSE (Equus caballus, Horse), Gene TNFSF10, Length 289 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
1M41.9Very low50.6Low252 Ų252131.2 Ų131.2100%1.24182%0.818SS**  0123.50-60.2-179.8-155.700105.7
2A41.3Very low52.3Low98 Ų98130 Ų13081%0.8181%0.813SS**  cis-142.4145.635.100000111.1
3M38.4Very low54Low192 Ų192123.4 Ų123.495%0.94679%0.786SS**  trans-73.8124.2167.1-79.5-179.5137.600108.9Q5M3-Q5 PolarHBondContact O-N 3.11Å
4M44.3Very low55.7Low193 Ų193122.3 Ų122.395%0.95177%0.766SS**  trans-78.6113.5161.1-75.8-175.4105.100108.2A6M4-A6 PolarHBondContact O-N 2.71Å
5Q41.3Very low57.3Low195 Ų195118.3 Ų118.391%0.91174%0.74SS**  trans-74.8107.9171.1-124.1167.2-19.800108.2M3M3-Q5 PolarHBondContact O-N 3.11Å
6A45.2Very low59Low98 Ų98115.4 Ų115.481%0.8173%0.725SS**  trans-78.9115.9166.500000108.2M4 G8M4-A6 PolarHBondContact O-N 2.71Å; A6-G8 PolarHBondContact O-N 2.86Å
7S48.2Very low60.6Low121 Ų121113.5 Ų113.585%0.84671%0.712SS**  trans-67.5115.4173.846.20000109.6G9S7-G9 PolarHBondContact O-N 3Å
8G52.3Low62.1Low79 Ų79113.3 Ų113.381%0.81470%0.704SS**PPolyproline II helixtrans-62.8124174.100000110.8A6A6-G8 PolarHBondContact O-N 2.86Å
9G64.6Low63.5Low65 Ų65112.7 Ų112.767%0.6769%0.694SS**PPolyproline II helixtrans-64.9154.4174.100000112.1S7S7-G9 PolarHBondContact O-N 3Å
10P64Low64.8Low93 Ų93112.4 Ų112.460%0.60469%0.688SS**PPolyproline II helixtrans-62.2140.6-176.823.8-31.1000111.3Q14P10-Q14 HydrophobicContact CB-CB 4.48Å
11S74.8Confident66.1Low57 Ų57111.3 Ų111.340%0.39968%0.677SS.*PPolyproline II helixtrans-63.9148.4179.264.30000111.1G13 Q14 T15S11-G13 PolarHBondContact O-N 3.49Å; S11-Q14 WeakPolarHBondContact O-CB 3.34Å; S11-Q14 PolarHBondContact O-N 2.98Å; S11-Q14 WeakPolarHBondContact OG-CG 3.29Å; S11-Q14 PolarHBondContact OG-OE1 3.07Å; S11-T15 PolarHBondContact O-N 2.86Å; S11-T15 PolarHBondContact O-OG1 2.84Å
12P71.2Confident68.6Low117 Ų117105.9 Ų105.976%0.7665%0.646SS**Hα-helixtrans-57.5-27.7-177.618.2-30.2000113.8C16P12-C16 PolarHBondContact O-N 3Å; P12-C16 VanDerWaalsContact O-N 3.15Å
13G74.4Confident71Confident44 Ų44104.2 Ų104.245%0.45463%0.626SS.*Hα-helixtrans-67.9-39.4172.300000113.4S11 C16 V17S11-G13 PolarHBondContact O-N 3.49Å; G13-C16 PolarHBondContact O-N 2.94Å; G13-V17 WeakPolarHBondContact O-CG2 3.33Å; G13-V17 PolarHBondContact O-N 3.42Å; G13-V17 VanDerWaalsContact O-N 3.08Å
14Q77.9Confident73.7Confident108 Ų10899.5 Ų99.551%0.50561%0.608SS.*Hα-helixtrans-65.9-39.2175.3-74.3168.3-44.200111.4P10 S11 C16 V17 L18P10-Q14 HydrophobicContact CB-CB 4.48Å; S11-Q14 WeakPolarHBondContact O-CB 3.34Å; S11-Q14 PolarHBondContact O-N 2.98Å; S11-Q14 WeakPolarHBondContact OG-CG 3.29Å; S11-Q14 PolarHBondContact OG-OE1 3.07Å; Q14-C16 VanDerWaalsContact C-N 3.34Å; Q14-C16 PolarHBondContact O-N 2.7Å; Q14-V17 PolarHBondContact O-N 3.16Å; Q14-L18 WeakPolarHBondContact O-CB 3.41Å; Q14-L18 VanDerWaalsContact O-CG 3.24Å; Q14-L18 WeakPolarHBondContact O-CG 3.42Å; Q14-L18 PolarHBondContact O-N 3.11Å
15T80.2Confident76.1Confident62 Ų6295.7 Ų95.738%0.3859%0.591SS.*Hα-helixtrans-63.4-40.5175.8-47.90000111.8S11 L18 I19S11-T15 PolarHBondContact O-N 2.86Å; S11-T15 PolarHBondContact O-OG1 2.84Å; T15-L18 PolarHBondContact O-N 2.74Å; T15-I19 HydrophobicContact CG2-CD1 4.22Å; T15-I19 VanDerWaalsContact O-CG1 3.28Å; T15-I19 WeakPolarHBondContact O-CG1 3.3Å; T15-I19 PolarHBondContact O-N 3.38Å
16C83.5Confident78.6Confident73 Ų7390.8 Ų90.849%0.49357%0.571SS.*Hα-helixtrans-66.3-42.4178.2-161.90000112.3P12 G13 Q14 L18 I19 L20P12-C16 PolarHBondContact O-N 3Å; P12-C16 VanDerWaalsContact O-N 3.15Å; G13-C16 PolarHBondContact O-N 2.94Å; Q14-C16 VanDerWaalsContact C-N 3.34Å; Q14-C16 PolarHBondContact O-N 2.7Å; C16-L18 VanDerWaalsContact C-N 3.35Å; C16-L18 PolarHBondContact O-N 2.81Å; C16-I19 PolarHBondContact O-N 3.44Å; C16-L20 WeakPolarHBondContact O-CG 3.49Å; C16-L20 PolarHBondContact O-N 2.92Å
17V87Confident81Confident83 Ų8392.5 Ų92.550%0.50356%0.562SS.*Hα-helixtrans-62.5-42175.3171.60000111.3G13 Q14 I19 L20 I21G13-V17 WeakPolarHBondContact O-CG2 3.33Å; G13-V17 PolarHBondContact O-N 3.42Å; G13-V17 VanDerWaalsContact O-N 3.08Å; Q14-V17 PolarHBondContact O-N 3.16Å; V17-I19 VanDerWaalsContact C-N 3.34Å; V17-I19 PolarHBondContact O-N 2.9Å; V17-L20 PolarHBondContact O-N 2.81Å; V17-I21 HydrophobicContact CG1-CD1 3.8Å; V17-I21 HydrophobicContact CG1-CG1 4.47Å; V17-I21 VanDerWaalsContact O-CG1 3.29Å; V17-I21 WeakPolarHBondContact O-CG1 3.28Å; V17-I21 PolarHBondContact O-N 2.96Å
18L87.8Confident83.3Confident109 Ų10989.6 Ų89.657%0.57155%0.545SS*.Hα-helixtrans-63.6-39176.9-72.5169.8000112.4Q14 T15 C16 I21 F22Q14-L18 WeakPolarHBondContact O-CB 3.41Å; Q14-L18 VanDerWaalsContact O-CG 3.24Å; Q14-L18 WeakPolarHBondContact O-CG 3.42Å; Q14-L18 PolarHBondContact O-N 3.11Å; T15-L18 PolarHBondContact O-N 2.74Å; C16-L18 VanDerWaalsContact C-N 3.35Å; C16-L18 PolarHBondContact O-N 2.81Å; L18-I21 PolarHBondContact O-N 3.38Å; L18-F22 WeakPolarHBondContact O-CB 3.49Å; L18-F22 PolarHBondContact O-N 2.81Å
19I89.3Confident85.4Confident102 Ų10291.1 Ų91.152%0.52353%0.534SS..Hα-helixtrans-64.1-45.8175.3-68.8164.5000110.5T15 C16 V17 I21 F22 T23T15-I19 HydrophobicContact CG2-CD1 4.22Å; T15-I19 VanDerWaalsContact O-CG1 3.28Å; T15-I19 WeakPolarHBondContact O-CG1 3.3Å; T15-I19 PolarHBondContact O-N 3.38Å; C16-I19 PolarHBondContact O-N 3.44Å; V17-I19 VanDerWaalsContact C-N 3.34Å; V17-I19 PolarHBondContact O-N 2.9Å; I19-I21 PolarHBondContact O-N 3.4Å; I19-F22 PolarHBondContact O-N 3.37Å; I19-T23 HydrophobicContact CG2-CG2 4.36Å; I19-T23 WeakPolarHBondContact O-CG2 3.14Å; I19-T23 PolarHBondContact O-N 3.29Å; I19-T23 PolarHBondContact O-OG1 3.32Å
20L89.3Confident86.8Confident107 Ų10791.2 Ų91.256%0.5652%0.524SS*.Hα-helixtrans-60.4-46.1178-72.1174.1000111.6C16 V17 F22 T23 V24C16-L20 WeakPolarHBondContact O-CG 3.49Å; C16-L20 PolarHBondContact O-N 2.92Å; V17-L20 PolarHBondContact O-N 2.81Å; L20-F22 VanDerWaalsContact C-N 3.31Å; L20-F22 PolarHBondContact O-N 3.07Å; L20-T23 WeakPolarHBondContact CA-OG1 3.48Å; L20-T23 PolarHBondContact O-N 3.2Å; L20-T23 PolarHBondContact O-OG1 3.1Å; L20-V24 WeakPolarHBondContact O-CG2 3.39Å; L20-V24 PolarHBondContact O-N 2.84Å
21I92.4Very high88.4Confident89 Ų8990.9 Ų90.946%0.45652%0.52SS..Hα-helixtrans-58.5-45.7175.9-68166.6000110.6V17 L18 I19 T23 V24 L25V17-I21 HydrophobicContact CG1-CD1 3.8Å; V17-I21 HydrophobicContact CG1-CG1 4.47Å; V17-I21 VanDerWaalsContact O-CG1 3.29Å; V17-I21 WeakPolarHBondContact O-CG1 3.28Å; V17-I21 PolarHBondContact O-N 2.96Å; L18-I21 PolarHBondContact O-N 3.38Å; I19-I21 PolarHBondContact O-N 3.4Å; I21-T23 PolarHBondContact O-N 2.71Å; I21-V24 PolarHBondContact O-N 3.27Å; I21-L25 HydrophobicContact CG2-CD1 3.92Å; I21-L25 HydrophobicContact CG2-CG 4.39Å; I21-L25 WeakPolarHBondContact O-CB 3.38Å; I21-L25 VanDerWaalsContact O-CG 3.31Å; I21-L25 WeakPolarHBondContact O-CG 3.26Å; I21-L25 PolarHBondContact O-N 3.31Å
22F94.3Very high89.4Confident138 Ų13890.6 Ų90.661%0.60552%0.521SS*.Hα-helixtrans-61.9-42.5178.3-175.4-97.5000112.3L18 I19 L20 L25 L26L18-F22 WeakPolarHBondContact O-CB 3.49Å; L18-F22 PolarHBondContact O-N 2.81Å; I19-F22 PolarHBondContact O-N 3.37Å; L20-F22 VanDerWaalsContact C-N 3.31Å; L20-F22 PolarHBondContact O-N 3.07Å; F22-L25 PolarHBondContact O-N 2.82Å; F22-L26 HydrophobicContact CE1-CD2 4.37Å; F22-L26 WeakPolarHBondContact O-CB 3.31Å; F22-L26 PolarHBondContact O-N 3.44Å
23T90.9Very high90.6Very high64 Ų6489.2 Ų89.239%0.39351%0.51SS..Hα-helixtrans-64.7-40.717857.30000112.7I19 L20 I21 L26 Q27I19-T23 HydrophobicContact CG2-CG2 4.36Å; I19-T23 WeakPolarHBondContact O-CG2 3.14Å; I19-T23 PolarHBondContact O-N 3.29Å; I19-T23 PolarHBondContact O-OG1 3.32Å; L20-T23 WeakPolarHBondContact CA-OG1 3.48Å; L20-T23 PolarHBondContact O-N 3.2Å; L20-T23 PolarHBondContact O-OG1 3.1Å; I21-T23 PolarHBondContact O-N 2.71Å; T23-L26 PolarHBondContact O-N 3.04Å; T23-Q27 WeakPolarHBondContact O-CB 3.38Å; T23-Q27 PolarHBondContact O-N 3.15Å
24V94.9Very high91.5Very high93 Ų9390.5 Ų90.556%0.56451%0.509SS*.Hα-helixtrans-66.8-42.4177.5172.80000110.9L20 I21 Q27 A28L20-V24 WeakPolarHBondContact O-CG2 3.39Å; L20-V24 PolarHBondContact O-N 2.84Å; I21-V24 PolarHBondContact O-N 3.27Å; V24-Q27 PolarHBondContact O-N 2.92Å; V24-A28 WeakPolarHBondContact O-CB 3.14Å; V24-A28 PolarHBondContact O-N 3.29Å
25L94.7Very high92.3Very high113 Ų11392.9 Ų92.959%0.59252%0.515SS*.Hα-helixtrans-62.6-43.7175.8-73.6175.4000111.8I21 F22 A28 L29I21-L25 HydrophobicContact CG2-CD1 3.92Å; I21-L25 HydrophobicContact CG2-CG 4.39Å; I21-L25 WeakPolarHBondContact O-CB 3.38Å; I21-L25 VanDerWaalsContact O-CG 3.31Å; I21-L25 WeakPolarHBondContact O-CG 3.26Å; I21-L25 PolarHBondContact O-N 3.31Å; F22-L25 PolarHBondContact O-N 2.82Å; L25-A28 PolarHBondContact O-N 3.23Å; L25-L29 WeakPolarHBondContact O-CB 3.38Å; L25-L29 PolarHBondContact O-N 2.88Å
26L95Very high93Very high92 Ų9295.5 Ų95.548%0.48253%0.526SS..Hα-helixtrans-64.1-42.6177.5-174.264.6000111.4F22 T23 L29 C30F22-L26 HydrophobicContact CE1-CD2 4.37Å; F22-L26 WeakPolarHBondContact O-CB 3.31Å; F22-L26 PolarHBondContact O-N 3.44Å; T23-L26 PolarHBondContact O-N 3.04Å; L26-L29 PolarHBondContact O-N 2.78Å; L26-C30 PolarHBondContact O-N 2.86Å; L26-C30 PolarHBondContact O-SG 3Å; L26-C30 VanDerWaalsContact O-SG 3.39Å
27Q94.6Very high93.5Very high133 Ų13398.6 Ų98.662%0.62153%0.528SS*.Hα-helixtrans-64.3-43.5177.3-172.9175.6-14.400111.7T23 V24 L29 C30 V31T23-Q27 WeakPolarHBondContact O-CB 3.38Å; T23-Q27 PolarHBondContact O-N 3.15Å; V24-Q27 PolarHBondContact O-N 2.92Å; Q27-L29 VanDerWaalsContact C-N 3.32Å; Q27-L29 PolarHBondContact O-N 3.14Å; Q27-C30 PolarHBondContact O-N 3.45Å; Q27-V31 VanDerWaalsContact O-CG2 3.31Å; Q27-V31 WeakPolarHBondContact O-CG2 3.25Å; Q27-V31 PolarHBondContact O-N 3.23Å
28A95.8Very high93.7Very high60 Ų60100.8 Ų100.850%0.49653%0.531SS..Hα-helixtrans-60.6-41.6176.300000112V24 L25 V31 A32V24-A28 WeakPolarHBondContact O-CB 3.14Å; V24-A28 PolarHBondContact O-N 3.29Å; L25-A28 PolarHBondContact O-N 3.23Å; A28-V31 PolarHBondContact O-N 3.34Å; A28-A32 WeakPolarHBondContact O-CB 3.46Å; A28-A32 PolarHBondContact O-N 2.86Å
29L96.6Very high93.9Very high111 Ų11197.6 Ų97.658%0.58152%0.516SS*.Hα-helixtrans-65.9-44.2177.4-169.4132.2000111.9L25 L26 Q27 V31 A32 V33L25-L29 WeakPolarHBondContact O-CB 3.38Å; L25-L29 PolarHBondContact O-N 2.88Å; L26-L29 PolarHBondContact O-N 2.78Å; Q27-L29 VanDerWaalsContact C-N 3.32Å; Q27-L29 PolarHBondContact O-N 3.14Å; L29-V31 VanDerWaalsContact C-N 3.34Å; L29-V31 PolarHBondContact O-N 3.16Å; L29-A32 PolarHBondContact O-N 2.89Å; L29-V33 HydrophobicContact CD2-CG2 4.46Å; L29-V33 WeakPolarHBondContact O-CG2 3.39Å; L29-V33 PolarHBondContact O-N 2.84Å
30C95.5Very high93.8Very high67 Ų6797.8 Ų97.845%0.45352%0.518SS..Hα-helixtrans-59.9-42.4174.6-75.20000112.4L26 Q27 V33 T34L26-C30 PolarHBondContact O-N 2.86Å; L26-C30 PolarHBondContact O-SG 3Å; L26-C30 VanDerWaalsContact O-SG 3.39Å; Q27-C30 PolarHBondContact O-N 3.45Å; C30-V33 PolarHBondContact O-N 2.93Å; C30-T34 WeakPolarHBondContact O-CB 3.34Å; C30-T34 WeakPolarHBondContact O-CG2 3.5Å; C30-T34 PolarHBondContact O-N 2.61Å; C30-T34 PolarHBondContact O-OG1 2.75Å
31V95.9Very high93.8Very high86 Ų8695.9 Ų95.952%0.52151%0.506SS..Hα-helixtrans-65-42.2177172.70000111.1Q27 A28 L29 T34 Y35Q27-V31 VanDerWaalsContact O-CG2 3.31Å; Q27-V31 WeakPolarHBondContact O-CG2 3.25Å; Q27-V31 PolarHBondContact O-N 3.23Å; A28-V31 PolarHBondContact O-N 3.34Å; L29-V31 VanDerWaalsContact C-N 3.34Å; L29-V31 PolarHBondContact O-N 3.16Å; V31-T34 WeakPolarHBondContact CA-OG1 3.3Å; V31-T34 PolarHBondContact O-N 2.96Å; V31-T34 PolarHBondContact O-OG1 3.43Å; V31-Y35 VanDerWaalsContact O-CB 3.23Å; V31-Y35 WeakPolarHBondContact O-CB 3.1Å; V31-Y35 PolarHBondContact O-N 2.86Å
32A95.8Very high93.3Very high51 Ų5197.3 Ų97.342%0.42151%0.514SS..Hα-helixtrans-63.3-44.3177.900000112.4A28 L29 Y35 L36A28-A32 WeakPolarHBondContact O-CB 3.46Å; A28-A32 PolarHBondContact O-N 2.86Å; L29-A32 PolarHBondContact O-N 2.89Å; A32-Y35 PolarHBondContact O-N 2.88Å; A32-L36 WeakPolarHBondContact O-CG 3.17Å; A32-L36 PolarHBondContact O-N 2.66Å
33V96.3Very high92.7Very high88 Ų8896.5 Ų96.553%0.53351%0.511SS..Hα-helixtrans-63.7-46.7178.1171.50000111.2L29 C30 L36 Y37L29-V33 HydrophobicContact CD2-CG2 4.46Å; L29-V33 WeakPolarHBondContact O-CG2 3.39Å; L29-V33 PolarHBondContact O-N 2.84Å; C30-V33 PolarHBondContact O-N 2.93Å; V33-L36 PolarHBondContact O-N 3Å; V33-Y37 WeakPolarHBondContact O-CB 3.38Å; V33-Y37 PolarHBondContact O-N 2.84Å
34T94.1Very high92.1Very high71 Ų7197.7 Ų97.744%0.43651%0.511SS..Hα-helixtrans-64.6-41.4178.449.60000111.7C30 V31 L36 Y37 F38C30-T34 WeakPolarHBondContact O-CB 3.34Å; C30-T34 WeakPolarHBondContact O-CG2 3.5Å; C30-T34 PolarHBondContact O-N 2.61Å; C30-T34 PolarHBondContact O-OG1 2.75Å; V31-T34 WeakPolarHBondContact CA-OG1 3.3Å; V31-T34 PolarHBondContact O-N 2.96Å; V31-T34 PolarHBondContact O-OG1 3.43Å; T34-L36 PolarHBondContact O-N 3.01Å; T34-Y37 PolarHBondContact O-N 2.88Å; T34-F38 WeakPolarHBondContact O-CB 3.32Å; T34-F38 VanDerWaalsContact O-CD2 3.27Å; T34-F38 WeakPolarHBondContact O-CD2 3.35Å; T34-F38 PolarHBondContact O-N 3.2Å
35Y95.7Very high91Very high159 Ų15997.9 Ų97.962%0.62451%0.508SS*.Hα-helixtrans-59.3-46.1174.7177.9-96.4000112.5V31 A32 T39V31-Y35 VanDerWaalsContact O-CB 3.23Å; V31-Y35 WeakPolarHBondContact O-CB 3.1Å; V31-Y35 PolarHBondContact O-N 2.86Å; A32-Y35 PolarHBondContact O-N 2.88Å; Y35-T39 VanDerWaalsContact O-CB 3.3Å; Y35-T39 WeakPolarHBondContact O-CB 3.25Å; Y35-T39 PolarHBondContact O-N 2.77Å; Y35-T39 PolarHBondContact O-OG1 2.88Å
36L94Very high89.8Confident117 Ų11799.2 Ų99.261%0.61351%0.511SS*.Hα-helixtrans-63.9-42.5177.3-73172.8000111.9A32 V33 T34 T39 N40A32-L36 WeakPolarHBondContact O-CG 3.17Å; A32-L36 PolarHBondContact O-N 2.66Å; V33-L36 PolarHBondContact O-N 3Å; T34-L36 PolarHBondContact O-N 3.01Å; L36-T39 PolarHBondContact O-N 3.2Å; L36-N40 WeakPolarHBondContact O-CB 3.04Å; L36-N40 PolarHBondContact O-N 3.14Å
37Y94.7Very high88.3Confident137 Ų137100 Ų10054%0.53751%0.514SS..Hα-helixtrans-61.1-51.9176.3177.5-101.1000111.7V33 T34 T39 N40 E41V33-Y37 WeakPolarHBondContact O-CB 3.38Å; V33-Y37 PolarHBondContact O-N 2.84Å; T34-Y37 PolarHBondContact O-N 2.88Å; Y37-T39 VanDerWaalsContact C-N 3.34Å; Y37-T39 PolarHBondContact O-N 2.79Å; Y37-N40 PolarHBondContact O-N 2.99Å; Y37-N40 VanDerWaalsContact O-N 3.16Å; Y37-E41 HydrophobicContact CE1-CG 4.02Å; Y37-E41 HydrophobicContact CE2-CG 4.14Å; Y37-E41 PolarHBondContact O-N 3.02Å
38F91.1Very high86.9Confident130 Ų13099.6 Ų99.657%0.5751%0.51SS*.Hα-helixtrans-61.9-40.5178.5-88.5-70.8000112.3T34 N40 E41 L42T34-F38 WeakPolarHBondContact O-CB 3.32Å; T34-F38 VanDerWaalsContact O-CD2 3.27Å; T34-F38 WeakPolarHBondContact O-CD2 3.35Å; T34-F38 PolarHBondContact O-N 3.2Å; F38-N40 VanDerWaalsContact C-N 3.28Å; F38-N40 PolarHBondContact O-N 2.69Å; F38-E41 PolarHBondContact O-N 3.46Å; F38-L42 VanDerWaalsContact O-CB 3.32Å; F38-L42 WeakPolarHBondContact O-CB 3.26Å; F38-L42 VanDerWaalsContact O-CG 3.25Å; F38-L42 WeakPolarHBondContact O-CG 3.49Å; F38-L42 PolarHBondContact O-N 2.82Å
39T90.6Very high85.2Confident41 Ų41104.9 Ų104.925%0.25252%0.519SS..Hα-helixtrans-63-38177.1-56.80000111.3Y35 L36 Y37 K43Y35-T39 VanDerWaalsContact O-CB 3.3Å; Y35-T39 WeakPolarHBondContact O-CB 3.25Å; Y35-T39 PolarHBondContact O-N 2.77Å; Y35-T39 PolarHBondContact O-OG1 2.88Å; L36-T39 PolarHBondContact O-N 3.2Å; Y37-T39 VanDerWaalsContact C-N 3.34Å; Y37-T39 PolarHBondContact O-N 2.79Å; T39-K43 WeakPolarHBondContact O-CB 3.43Å; T39-K43 WeakPolarHBondContact O-CG 3.16Å; T39-K43 PolarHBondContact O-N 2.88Å
40N88.9Confident83.3Confident106 Ų106103.1 Ų103.157%0.56752%0.516SS*.Hα-helixtrans-69.4-44177.8-165.837.4000112.1L36 Y37 F38 K43 Q44L36-N40 WeakPolarHBondContact O-CB 3.04Å; L36-N40 PolarHBondContact O-N 3.14Å; Y37-N40 PolarHBondContact O-N 2.99Å; Y37-N40 VanDerWaalsContact O-N 3.16Å; F38-N40 VanDerWaalsContact C-N 3.28Å; F38-N40 PolarHBondContact O-N 2.69Å; N40-K43 PolarHBondContact O-N 3.27Å; N40-Q44 PolarHBondContact O-N 2.98Å
41E89.4Confident81.4Confident67 Ų67108.6 Ų108.631%0.31353%0.532SS..Hα-helixtrans-64-42.1175.1-73.5-61.2140.300112Y37 F38 K43 Q44 M45Y37-E41 HydrophobicContact CE1-CG 4.02Å; Y37-E41 HydrophobicContact CE2-CG 4.14Å; Y37-E41 PolarHBondContact O-N 3.02Å; F38-E41 PolarHBondContact O-N 3.46Å; E41-K43 VanDerWaalsContact C-N 3.34Å; E41-K43 PolarHBondContact O-N 3.12Å; E41-Q44 WeakPolarHBondContact O-CB 3.44Å; E41-Q44 PolarHBondContact O-N 2.89Å; E41-Q44 VanDerWaalsContact O-N 3.13Å; E41-M45 WeakPolarHBondContact O-CG 3.23Å; E41-M45 PolarHBondContact O-N 2.83Å
42L81.6Confident79.5Confident119 Ų119107.3 Ų107.362%0.62353%0.527SS*.Hα-helixtrans-61.8-41175.1-75.5171.7000111.9F38 Q44 M45 Q46F38-L42 VanDerWaalsContact O-CB 3.32Å; F38-L42 WeakPolarHBondContact O-CB 3.26Å; F38-L42 VanDerWaalsContact O-CG 3.25Å; F38-L42 WeakPolarHBondContact O-CG 3.49Å; F38-L42 PolarHBondContact O-N 2.82Å; L42-Q44 VanDerWaalsContact C-N 3.34Å; L42-M45 PolarHBondContact O-N 2.95Å; L42-Q46 WeakPolarHBondContact O-CB 3.38Å; L42-Q46 PolarHBondContact O-N 2.79Å
43K80.8Confident77.6Confident122 Ų122108 Ų10853%0.5354%0.539SS..Hα-helixtrans-62.6-41.5172.5-78178.1179.3-178.60111.6T39 N40 E41 M45 Q46 I47T39-K43 WeakPolarHBondContact O-CB 3.43Å; T39-K43 WeakPolarHBondContact O-CG 3.16Å; T39-K43 PolarHBondContact O-N 2.88Å; N40-K43 PolarHBondContact O-N 3.27Å; E41-K43 VanDerWaalsContact C-N 3.34Å; E41-K43 PolarHBondContact O-N 3.12Å; K43-M45 VanDerWaalsContact C-N 3.35Å; K43-Q46 PolarHBondContact O-N 3.04Å; K43-I47 VanDerWaalsContact O-CG1 3.26Å; K43-I47 WeakPolarHBondContact O-CG1 3.49Å; K43-I47 PolarHBondContact O-N 3.36Å
44Q78.4Confident76Confident88 Ų88108.3 Ų108.341%0.41154%0.536SS..Hα-helixtrans-65.2-40.1177.9-154.7-159.772.900111.7N40 E41 L42 I47 K48N40-Q44 PolarHBondContact O-N 2.98Å; E41-Q44 WeakPolarHBondContact O-CB 3.44Å; E41-Q44 PolarHBondContact O-N 2.89Å; E41-Q44 VanDerWaalsContact O-N 3.13Å; L42-Q44 VanDerWaalsContact C-N 3.34Å; Q44-I47 PolarHBondContact O-N 3.1Å; Q44-K48 WeakPolarHBondContact O-CG 3.36Å; Q44-K48 PolarHBondContact O-N 2.97Å
45M71.9Confident74.4Confident98 Ų98106.7 Ų106.748%0.48353%0.53SS..Hα-helixtrans-62.5-48.7172.6-75.3-69.2-133.400111.1E41 L42 K43 I47 K48 Y49E41-M45 WeakPolarHBondContact O-CG 3.23Å; E41-M45 PolarHBondContact O-N 2.83Å; L42-M45 PolarHBondContact O-N 2.95Å; K43-M45 VanDerWaalsContact C-N 3.35Å; M45-I47 VanDerWaalsContact C-N 3.3Å; M45-I47 PolarHBondContact O-N 2.99Å; M45-K48 PolarHBondContact O-N 2.97Å; M45-K48 VanDerWaalsContact O-N 3.08Å; M45-Y49 HydrophobicContact CB-CD2 4.47Å; M45-Y49 VanDerWaalsContact O-CD2 3.24Å; M45-Y49 WeakPolarHBondContact O-CD2 3.41Å; M45-Y49 PolarHBondContact O-N 2.78Å; M45-Y49 HydrophobicContact SD-CE2 4.38Å
46Q69.6Low73Confident141 Ų141101 Ų10166%0.65951%0.513SS*.Hα-helixtrans-57.3-42.7178.3-172.7177.52.700111.9L42 K43 Y49 S50L42-Q46 WeakPolarHBondContact O-CB 3.38Å; L42-Q46 PolarHBondContact O-N 2.79Å; K43-Q46 PolarHBondContact O-N 3.04Å; Q46-Y49 PolarHBondContact O-N 2.92Å; Q46-S50 WeakPolarHBondContact O-CB 3.44Å; Q46-S50 PolarHBondContact O-N 2.96Å; Q46-S50 PolarHBondContact O-OG 3.01Å
47I63.4Low71.5Confident108 Ų108100.5 Ų100.555%0.55451%0.506SS*.Hα-helixtrans-66.6-38.5176.5-67.2165.9000111.5K43 Q44 M45 S50 K51K43-I47 VanDerWaalsContact O-CG1 3.26Å; K43-I47 WeakPolarHBondContact O-CG1 3.49Å; K43-I47 PolarHBondContact O-N 3.36Å; Q44-I47 PolarHBondContact O-N 3.1Å; M45-I47 VanDerWaalsContact C-N 3.3Å; M45-I47 PolarHBondContact O-N 2.99Å; I47-S50 WeakPolarHBondContact CA-OG 3.28Å; I47-S50 PolarHBondContact O-OG 2.62Å; I47-K51 WeakPolarHBondContact O-CB 3.3Å; I47-K51 PolarHBondContact O-N 2.9Å
48K66.1Low70Confident125 Ų125100.1 Ų100.154%0.54351%0.513SS..Hα-helixtrans-67.7-40175.3-79.1174.9178.8163.90112Q44 M45 K51 S52Q44-K48 WeakPolarHBondContact O-CG 3.36Å; Q44-K48 PolarHBondContact O-N 2.97Å; M45-K48 PolarHBondContact O-N 2.97Å; M45-K48 VanDerWaalsContact O-N 3.08Å; K48-K51 PolarHBondContact O-N 2.9Å; K48-S52 PolarHBondContact O-N 3.07Å; K48-S52 VanDerWaalsContact O-N 3.16Å
49Y58.3Low68.4Low171 Ų171101.2 Ų101.267%0.67152%0.517SS*.Hα-helixtrans-68.9-40.7175.8-85.3-76.2000112.1M45 Q46 K51 S52M45-Y49 HydrophobicContact CB-CD2 4.47Å; M45-Y49 VanDerWaalsContact O-CD2 3.24Å; M45-Y49 WeakPolarHBondContact O-CD2 3.41Å; M45-Y49 PolarHBondContact O-N 2.78Å; M45-Y49 HydrophobicContact SD-CE2 4.38Å; Q46-Y49 PolarHBondContact O-N 2.92Å; Y49-K51 PolarHBondContact O-N 3.25Å; Y49-S52 WeakPolarHBondContact O-CB 3.27Å; Y49-S52 PolarHBondContact O-N 3.13Å
50S57Low66.7Low74 Ų74107.9 Ų107.952%0.51755%0.545SS..Hα-helixtrans-68.9-22174.969.90000113.2Q46 I47 A55Q46-S50 WeakPolarHBondContact O-CB 3.44Å; Q46-S50 PolarHBondContact O-N 2.96Å; Q46-S50 PolarHBondContact O-OG 3.01Å; I47-S50 WeakPolarHBondContact CA-OG 3.28Å; I47-S50 PolarHBondContact O-OG 2.62Å; S50-A55 WeakPolarHBondContact O-CB 3.23Å
51K56.8Low65Low181 Ų181106.7 Ų106.779%0.78754%0.539SS*.THydrogen-bonded Turntrans-91-8.4176.8-162.2172-177.3178.80113.2I47 K48 Y49I47-K51 WeakPolarHBondContact O-CB 3.3Å; I47-K51 PolarHBondContact O-N 2.9Å; K48-K51 PolarHBondContact O-N 2.9Å; Y49-K51 PolarHBondContact O-N 3.25Å
52S55.2Low63.1Low60 Ų60111.7 Ų111.742%0.4257%0.568SS.*SBendtrans-69130.5169.5-167.80000108.8K48 Y49 I54 A55K48-S52 PolarHBondContact O-N 3.07Å; K48-S52 VanDerWaalsContact O-N 3.16Å; Y49-S52 WeakPolarHBondContact O-CB 3.27Å; Y49-S52 PolarHBondContact O-N 3.13Å; S52-I54 PolarHBondContact O-N 2.8Å; S52-A55 PolarHBondContact O-N 3.28Å; S52-A55 VanDerWaalsContact O-N 3.1Å
53G56.3Low61.8Low65 Ų65109.3 Ų109.367%0.6756%0.562SS**THydrogen-bonded Turntrans-60.212.4-16600000117.7
54I61.3Low60.3Low95 Ų95111 Ų11149%0.48758%0.577SS.*THydrogen-bonded Turntrans-105.2-6.6175.349168.7000114S52 C56 F57 L58S52-I54 PolarHBondContact O-N 2.8Å; I54-C56 PolarHBondContact O-N 2.95Å; I54-C56 VanDerWaalsContact O-N 3.14Å; I54-F57 HydrophobicContact CB-CD2 4.46Å; I54-F57 HydrophobicContact CG2-CD2 4.29Å; I54-F57 PolarHBondContact O-N 3.39Å; I54-L58 HydrophobicContact CD1-CD1 4.31Å; I54-L58 PolarHBondContact O-N 3.45Å
55A61.8Low59.2Low37 Ų37110.8 Ų110.831%0.30657%0.572SS.*Hα-helixtrans-57.4-30.9179.200000113.1S50 S52 F57S50-A55 WeakPolarHBondContact O-CB 3.23Å; S52-A55 PolarHBondContact O-N 3.28Å; S52-A55 VanDerWaalsContact O-N 3.1Å; A55-F57 VanDerWaalsContact C-N 3.27Å; A55-F57 PolarHBondContact O-N 2.78Å
56C65.1Low58.5Low38 Ų38109.8 Ų109.826%0.25757%0.569SS.*Hα-helixtrans-70.5-17.2174.8-67.20000114.7I54 C77I54-C56 PolarHBondContact O-N 2.95Å; I54-C56 VanDerWaalsContact O-N 3.14Å; C56-C77 WeakPolarHBondContact CA-SG 3.08Å; C56-C77 HydrophobicContact CB-CB 3.48Å; C56-C77 VanDerWaalsContact CB-CB 3.48Å; C56-C77 WeakPolarHBondContact CB-SG 3.37Å; C56-C77 WeakPolarHBondContact SG-CA 3.39Å; C56-C77 WeakPolarHBondContact SG-CB 3.49Å; C56-C77 CovalentContact SG-SG 2.04Å; C56-C77 PolarHBondContact SG-SG 2.89Å
57F64.1Low57.8Low107 Ų107106.2 Ų106.247%0.46956%0.558SS.*Hα-helixtrans-97.7-19.5179.3-61.3-61.6000113.2I54 A55 V80 L84I54-F57 HydrophobicContact CB-CD2 4.46Å; I54-F57 HydrophobicContact CG2-CD2 4.29Å; I54-F57 PolarHBondContact O-N 3.39Å; A55-F57 VanDerWaalsContact C-N 3.27Å; A55-F57 PolarHBondContact O-N 2.78Å; F57-V80 HydrophobicContact CE2-CG1 4.35Å; F57-V80 HydrophobicContact CZ-CG1 3.83Å; F57-L84 HydrophobicContact CD1-CD2 4.46Å; F57-L84 HydrophobicContact CE1-CD2 3.49Å; F57-L84 VanDerWaalsContact CE1-CD2 3.49Å; F57-L84 HydrophobicContact CZ-CD2 3.91Å
58L62Low57.5Low130 Ų130108 Ų10868%0.68157%0.568SS**Hα-helixtrans-96-8.4-175.9-66.3173000113.5I54 E60I54-L58 HydrophobicContact CD1-CD1 4.31Å; I54-L58 PolarHBondContact O-N 3.45Å; L58-E60 PolarHBondContact O-N 3.29Å; L58-E60 VanDerWaalsContact O-N 3.16Å
59K57.9Low57.4Low152 Ų152105.7 Ų105.766%0.66156%0.562SS**  trans-7999.3174.8-151.9-179.1179-163.70107.9D61K59-D61 PolarHBondContact O-N 3.26Å
60E54.8Low57.3Low181 Ų181105.8 Ų105.885%0.84657%0.568SS**  trans-64.287.4167.4-80.4173.715900108.2L58L58-E60 PolarHBondContact O-N 3.29Å; L58-E60 VanDerWaalsContact O-N 3.16Å
61D53.8Low57.3Low82 Ų82110.9 Ų110.944%0.43958%0.584SS.*  trans-95103.9158.8-79.3-34.4000106.4K59 S63K59-D61 PolarHBondContact O-N 3.26Å; D61-S63 PolarHBondContact O-N 2.8Å
62D49.9Very low57.2Low171 Ų171103.2 Ų103.291%0.91455%0.553SS**  trans-65.511.4175.3-93.8-25.7000113.5
63S53.4Low57.2Low70 Ų70105.4 Ų105.449%0.4956%0.558SS.*SBendtrans-77.6126.5175.2520000110.4D61 W65D61-S63 PolarHBondContact O-N 2.8Å; S63-W65 PolarHBondContact O-N 2.72Å; S63-W65 VanDerWaalsContact O-N 3.16Å; S63-W65 PolarHBondContact O-NE1 3.1Å
64D49Very low57.2Low158 Ų158109.3 Ų109.385%0.84556%0.564SS**  trans-56.2116.9168.5-163.117.3000108.2D66D64-D66 PolarHBondContact O-N 3.18Å; D64-D66 VanDerWaalsContact O-N 3.07Å
65W55.5Low57.4Low83 Ų83106.8 Ų106.831%0.31455%0.554SS.*  trans-79.793.5-170-76.878.2000110.2S63 P67 S72 W78 K81S63-W65 PolarHBondContact O-N 2.72Å; S63-W65 VanDerWaalsContact O-N 3.16Å; S63-W65 PolarHBondContact O-NE1 3.1Å; W65-P67 WeakPolarHBondContact O-CD 3.38Å; W65-S72 WeakPolarHBondContact CZ3-OG 3.34Å; W65-W78 HydrophobicContact CE3-CE3 4.35Å; W65-W78 AromaticContact CE3-CZ3 3.98Å; W65-W78 HydrophobicContact CE3-CZ3 3.98Å; W65-W78 AromaticContact CZ3-CE3 3.89Å; W65-W78 HydrophobicContact CZ3-CE3 3.89Å; W65-W78 AromaticContact CZ3-CZ3 3.99Å; W65-W78 HydrophobicContact CZ3-CZ3 3.99Å; W65-K81 HydrophobicContact CD2-CD 4.4Å; W65-K81 HydrophobicContact CE3-CD 4.37Å; W65-K81 HydrophobicContact CH2-CD 4.1Å; W65-K81 HydrophobicContact CZ2-CD 4.17Å; W65-K81 HydrophobicContact CZ3-CD 4.23Å
66D57.2Low57.6Low77 Ų77111 Ų11141%0.41258%0.579SS.*  trans-76.6123.8169.2-164.8-29.8000110D64 N68 D69D64-D66 PolarHBondContact O-N 3.18Å; D64-D66 VanDerWaalsContact O-N 3.07Å; D66-N68 PolarHBondContact O-N 2.89Å; D66-N68 VanDerWaalsContact O-N 3.11Å; D66-N68 PolarHBondContact OD1-N 2.85Å; D66-D69 WeakPolarHBondContact CB-OD2 3.38Å; D66-D69 PolarHBondContact O-N 2.64Å
67P55.8Low58Low66 Ų66111.1 Ų111.143%0.42958%0.579SS.*THydrogen-bonded Turntrans-57.6-17.4174.6-23.433000115.6W65W65-P67 WeakPolarHBondContact O-CD 3.38Å
68N57.3Low58.4Low144 Ų144108.1 Ų108.177%0.7757%0.565SS**THydrogen-bonded Turntrans-100.71.2-176.8-80.1-13.9000114.6D66 E70D66-N68 PolarHBondContact O-N 2.89Å; D66-N68 VanDerWaalsContact O-N 3.11Å; D66-N68 PolarHBondContact OD1-N 2.85Å; N68-E70 PolarHBondContact O-N 2.84Å
69D62.7Low58.9Low78 Ų78108.3 Ų108.342%0.41756%0.562SS.*  trans-75.6113.3-179.9-77-18.1000111.7D66 E71 S72D66-D69 WeakPolarHBondContact CB-OD2 3.38Å; D66-D69 PolarHBondContact O-N 2.64Å; D69-E71 PolarHBondContact O-N 2.99Å; D69-S72 PolarHBondContact O-N 2.92Å; D69-S72 VanDerWaalsContact O-N 3.16Å
70E57Low59.7Low172 Ų172104 Ų10480%0.80455%0.548SS*.Hα-helixtrans-57.6-29.6176.4-96.9-176.9150.100112.9N68 S72N68-E70 PolarHBondContact O-N 2.84Å; E70-S72 VanDerWaalsContact C-N 3.35Å
71E55.6Low60.7Low182 Ų18299.2 Ų99.285%0.8553%0.525SS*.Hα-helixtrans-73-29.7-178.9-135172.1-168.300112.3D69D69-E71 PolarHBondContact O-N 2.99Å
72S56.4Low61.7Low20 Ų20101.5 Ų101.514%0.1453%0.528CS..Hα-helixtrans-77.6-29.9-180140.30000112.3W65 D69 E70 N74 S75 W78W65-S72 WeakPolarHBondContact CZ3-OG 3.34Å; D69-S72 PolarHBondContact O-N 2.92Å; D69-S72 VanDerWaalsContact O-N 3.16Å; E70-S72 VanDerWaalsContact C-N 3.35Å; S72-N74 VanDerWaalsContact C-N 3.28Å; S72-N74 PolarHBondContact O-N 2.92Å; S72-S75 PolarHBondContact O-N 2.9Å; S72-S75 PolarHBondContact O-OG 2.9Å; S72-W78 WeakPolarHBondContact OG-CZ3 3.31Å
73M53.7Low63Low106 Ų10698.8 Ų98.852%0.52251%0.509SS..Hα-helixtrans-66.6-23.1177.5-76-154.2167.900114.4W78M73-W78 HydrophobicContact CE-CZ2 4.08Å; M73-W78 HydrophobicContact CG-CZ2 3.9Å
74N57.7Low64.3Low147 Ų14799.4 Ų99.479%0.78651%0.507SS*.THydrogen-bonded Turntrans-86.4-1.1-176.6-81.2-17.7000114.3S72S72-N74 VanDerWaalsContact C-N 3.28Å; S72-N74 PolarHBondContact O-N 2.92Å
75S65.5Low65.7Low42 Ų4299.4 Ų99.429%0.29450%0.495SS..SBendtrans-81.6136.1178.574.10000111.7S72 C77 W78S72-S75 PolarHBondContact O-N 2.9Å; S72-S75 PolarHBondContact O-OG 2.9Å; S75-C77 PolarHBondContact O-N 2.93Å; S75-W78 WeakPolarHBondContact O-CB 3.26Å; S75-W78 PolarHBondContact O-N 3.11Å; S75-W78 WeakPolarHBondContact OG-CB 3.46Å; S75-W78 PolarHBondContact OG-N 2.82Å
76P65.8Low66.8Low125 Ų12598.7 Ų98.781%0.81250%0.495SS*.THydrogen-bonded Turntrans-57.1-19.2173.3-25.133.4000114
77C72.9Confident67.9Low40 Ų40101.2 Ų101.227%0.2750%0.502SS..THydrogen-bonded Turntrans-87-15.8178.3-69.70000114.2C56 S75 Q79 V80 K81C56-C77 WeakPolarHBondContact CA-SG 3.08Å; C56-C77 HydrophobicContact CB-CB 3.48Å; C56-C77 VanDerWaalsContact CB-CB 3.48Å; C56-C77 WeakPolarHBondContact CB-SG 3.37Å; C56-C77 WeakPolarHBondContact SG-CA 3.39Å; C56-C77 WeakPolarHBondContact SG-CB 3.49Å; C56-C77 CovalentContact SG-SG 2.04Å; C56-C77 PolarHBondContact SG-SG 2.89Å; S75-C77 PolarHBondContact O-N 2.93Å; C77-Q79 VanDerWaalsContact C-N 3.33Å; C77-Q79 PolarHBondContact O-N 2.97Å; C77-V80 PolarHBondContact O-N 3.05Å; C77-K81 PolarHBondContact O-N 2.8Å
78W72.7Confident69.2Low44 Ų44101.5 Ų101.517%0.16750%0.503CS..Hα-helixtrans-55.4-47.7-178.8174.5-116.6000112W65 S72 M73 S75 V80 K81 W82W65-W78 HydrophobicContact CE3-CE3 4.35Å; W65-W78 AromaticContact CE3-CZ3 3.98Å; W65-W78 HydrophobicContact CE3-CZ3 3.98Å; W65-W78 AromaticContact CZ3-CE3 3.89Å; W65-W78 HydrophobicContact CZ3-CE3 3.89Å; W65-W78 AromaticContact CZ3-CZ3 3.99Å; W65-W78 HydrophobicContact CZ3-CZ3 3.99Å; S72-W78 WeakPolarHBondContact OG-CZ3 3.31Å; M73-W78 HydrophobicContact CE-CZ2 4.08Å; M73-W78 HydrophobicContact CG-CZ2 3.9Å; S75-W78 WeakPolarHBondContact O-CB 3.26Å; S75-W78 PolarHBondContact O-N 3.11Å; S75-W78 WeakPolarHBondContact OG-CB 3.46Å; S75-W78 PolarHBondContact OG-N 2.82Å; W78-V80 VanDerWaalsContact C-N 3.35Å; W78-V80 PolarHBondContact O-N 3.01Å; W78-K81 PolarHBondContact O-N 3.39Å; W78-W82 VanDerWaalsContact O-CB 3.26Å; W78-W82 WeakPolarHBondContact O-CB 3.46Å; W78-W82 PolarHBondContact O-N 3.09Å
79Q71.8Confident70.2Confident134 Ų134102.3 Ų102.363%0.62650%0.495SS*.Hα-helixtrans-65.3-39-174.8-163.7163.20.300112.1C77 Q83C77-Q79 VanDerWaalsContact C-N 3.33Å; C77-Q79 PolarHBondContact O-N 2.97Å; Q79-Q83 WeakPolarHBondContact O-CB 3.36Å; Q79-Q83 VanDerWaalsContact O-CG 3.26Å; Q79-Q83 WeakPolarHBondContact O-CG 3.37Å; Q79-Q83 PolarHBondContact O-N 3Å
80V75.8Confident71Confident61 Ų61105.5 Ų105.537%0.3751%0.505SS..Hα-helixtrans-67.9-45.8177179.50000110.7F57 C77 W78 Q83 L84F57-V80 HydrophobicContact CE2-CG1 4.35Å; F57-V80 HydrophobicContact CZ-CG1 3.83Å; C77-V80 PolarHBondContact O-N 3.05Å; W78-V80 VanDerWaalsContact C-N 3.35Å; W78-V80 PolarHBondContact O-N 3.01Å; V80-Q83 PolarHBondContact O-N 2.94Å; V80-L84 WeakPolarHBondContact O-CB 3.24Å; V80-L84 PolarHBondContact O-N 2.88Å
81K74.8Confident71.8Confident81 Ų81101.9 Ų101.935%0.35249%0.489SS..Hα-helixtrans-64.8-41.1179.1-166.8171.2-177.31670111.8W65 C77 W78 L84 R85W65-K81 HydrophobicContact CD2-CD 4.4Å; W65-K81 HydrophobicContact CE3-CD 4.37Å; W65-K81 HydrophobicContact CH2-CD 4.1Å; W65-K81 HydrophobicContact CZ2-CD 4.17Å; W65-K81 HydrophobicContact CZ3-CD 4.23Å; C77-K81 PolarHBondContact O-N 2.8Å; W78-K81 PolarHBondContact O-N 3.39Å; K81-L84 PolarHBondContact O-N 3.49Å; K81-R85 PolarHBondContact O-N 2.89Å
82W75.8Confident72.8Confident131 Ų13198.4 Ų98.450%0.49648%0.476SS..Hα-helixtrans-66-46177.6-171.994.6000112W78 L84 R85 Q86W78-W82 VanDerWaalsContact O-CB 3.26Å; W78-W82 WeakPolarHBondContact O-CB 3.46Å; W78-W82 PolarHBondContact O-N 3.09Å; W82-L84 VanDerWaalsContact C-N 3.35Å; W82-L84 PolarHBondContact O-N 2.96Å; W82-R85 PolarHBondContact O-N 2.66Å; W82-Q86 HydrophobicContact CD2-CG 3.9Å; W82-Q86 HydrophobicContact CE3-CG 3.8Å; W82-Q86 HydrophobicContact CH2-CG 3.71Å; W82-Q86 HydrophobicContact CZ2-CG 3.78Å; W82-Q86 HydrophobicContact CZ3-CG 3.72Å; W82-Q86 WeakPolarHBondContact O-CG 3.39Å; W82-Q86 PolarHBondContact O-N 2.78Å
83Q77.1Confident73.6Confident114 Ų114101.8 Ų101.853%0.53349%0.492SS..Hα-helixtrans-61.5-41.9176.7-77.4-177.1-24.200112.1Q79 V80 Q86 F87Q79-Q83 WeakPolarHBondContact O-CB 3.36Å; Q79-Q83 VanDerWaalsContact O-CG 3.26Å; Q79-Q83 WeakPolarHBondContact O-CG 3.37Å; Q79-Q83 PolarHBondContact O-N 3Å; V80-Q83 PolarHBondContact O-N 2.94Å; Q83-Q86 PolarHBondContact O-N 2.95Å; Q83-F87 WeakPolarHBondContact O-CB 3.46Å; Q83-F87 PolarHBondContact O-N 2.89Å
84L80.3Confident74.2Confident82 Ų82104 Ų10443%0.42949%0.494SS..Hα-helixtrans-61.2-45.5175.1-17765.6000111.5F57 V80 K81 W82 Q86 F87 V88F57-L84 HydrophobicContact CD1-CD2 4.46Å; F57-L84 HydrophobicContact CE1-CD2 3.49Å; F57-L84 VanDerWaalsContact CE1-CD2 3.49Å; F57-L84 HydrophobicContact CZ-CD2 3.91Å; V80-L84 WeakPolarHBondContact O-CB 3.24Å; V80-L84 PolarHBondContact O-N 2.88Å; K81-L84 PolarHBondContact O-N 3.49Å; W82-L84 VanDerWaalsContact C-N 3.35Å; W82-L84 PolarHBondContact O-N 2.96Å; L84-Q86 PolarHBondContact O-N 2.87Å; L84-F87 WeakPolarHBondContact O-CB 3.5Å; L84-F87 PolarHBondContact O-N 2.84Å; L84-V88 WeakPolarHBondContact O-CG2 3.43Å; L84-V88 PolarHBondContact O-N 2.89Å
85R78Confident74.3Confident158 Ų158100.5 Ų100.560%0.59648%0.478SS*.Hα-helixtrans-62.9-41.6178.6-166.7179.9-174.9-161.44.6112.1K81 W82 F87 V88 R89K81-R85 PolarHBondContact O-N 2.89Å; W82-R85 PolarHBondContact O-N 2.66Å; R85-F87 VanDerWaalsContact C-N 3.33Å; R85-V88 PolarHBondContact O-N 3.02Å; R85-R89 WeakPolarHBondContact O-CB 3.3Å; R85-R89 PolarHBondContact O-N 2.82Å
86Q79.4Confident74.2Confident68 Ų68106 Ų10632%0.31849%0.494SS..Hα-helixtrans-63.7-39.8174.8-73-64.4-25.300111.8W82 Q83 L84 R89 K90W82-Q86 HydrophobicContact CD2-CG 3.9Å; W82-Q86 HydrophobicContact CE3-CG 3.8Å; W82-Q86 HydrophobicContact CH2-CG 3.71Å; W82-Q86 HydrophobicContact CZ2-CG 3.78Å; W82-Q86 HydrophobicContact CZ3-CG 3.72Å; W82-Q86 WeakPolarHBondContact O-CG 3.39Å; W82-Q86 PolarHBondContact O-N 2.78Å; Q83-Q86 PolarHBondContact O-N 2.95Å; L84-Q86 PolarHBondContact O-N 2.87Å; Q86-R89 PolarHBondContact O-N 2.99Å; Q86-K90 WeakPolarHBondContact O-CB 3.22Å; Q86-K90 WeakPolarHBondContact O-CG 3.46Å; Q86-K90 PolarHBondContact O-N 2.95Å
87F80.5Confident74Confident130 Ų130107 Ų10757%0.5749%0.487SS*.Hα-helixtrans-65.2-45.9176.4-172.3-97.4000112Q83 L84 R85 R89 K90 M91Q83-F87 WeakPolarHBondContact O-CB 3.46Å; Q83-F87 PolarHBondContact O-N 2.89Å; L84-F87 WeakPolarHBondContact O-CB 3.5Å; L84-F87 PolarHBondContact O-N 2.84Å; R85-F87 VanDerWaalsContact C-N 3.33Å; F87-R89 PolarHBondContact O-N 3.39Å; F87-K90 PolarHBondContact O-N 3.41Å; F87-M91 HydrophobicContact CD1-CG 4.11Å; F87-M91 HydrophobicContact CE1-CG 3.7Å; F87-M91 HydrophobicContact CE1-SD 4.49Å; F87-M91 HydrophobicContact CZ-CG 3.95Å; F87-M91 HydrophobicContact CZ-SD 4.3Å; F87-M91 WeakPolarHBondContact O-CB 3.48Å; F87-M91 WeakPolarHBondContact O-CG 3.24Å; F87-M91 PolarHBondContact O-N 3.28Å
88V82.1Confident73Confident72 Ų72111.4 Ų111.444%0.43650%0.504SS..Hα-helixtrans-59-46.7174.4171.10000110.7L84 R85 K90 M91 I92L84-V88 WeakPolarHBondContact O-CG2 3.43Å; L84-V88 PolarHBondContact O-N 2.89Å; R85-V88 PolarHBondContact O-N 3.02Å; V88-K90 PolarHBondContact O-N 2.91Å; V88-M91 PolarHBondContact O-N 3.26Å; V88-I92 HydrophobicContact CG1-CD1 3.71Å; V88-I92 HydrophobicContact CG1-CG1 4.43Å; V88-I92 VanDerWaalsContact O-CG1 3.25Å; V88-I92 WeakPolarHBondContact O-CG1 3.17Å; V88-I92 PolarHBondContact O-N 2.82Å
89R78.2Confident71.9Confident161 Ų161113.1 Ų113.161%0.60852%0.523SS*.Hα-helixtrans-62.3-41.6178-167.3175-178156.70.9112.1R85 Q86 F87 L93R85-R89 WeakPolarHBondContact O-CB 3.3Å; R85-R89 PolarHBondContact O-N 2.82Å; Q86-R89 PolarHBondContact O-N 2.99Å; F87-R89 PolarHBondContact O-N 3.39Å; R89-L93 HydrophobicContact CG-CD1 4.18Å; R89-L93 WeakPolarHBondContact O-CB 3.32Å; R89-L93 VanDerWaalsContact O-CG 3.31Å; R89-L93 WeakPolarHBondContact O-CG 3.5Å; R89-L93 PolarHBondContact O-N 2.82Å
90K79.9Confident70.6Confident145 Ų145111.7 Ų111.763%0.6352%0.518SS*.Hα-helixtrans-65.9-41.2175.1-81.5-174.2176.2-174.80112.6Q86 F87 V88 L93 R94Q86-K90 WeakPolarHBondContact O-CB 3.22Å; Q86-K90 WeakPolarHBondContact O-CG 3.46Å; Q86-K90 PolarHBondContact O-N 2.95Å; F87-K90 PolarHBondContact O-N 3.41Å; V88-K90 PolarHBondContact O-N 2.91Å; K90-L93 PolarHBondContact O-N 2.78Å; K90-R94 WeakPolarHBondContact O-CB 3.25Å; K90-R94 PolarHBondContact O-N 2.84Å
91M74.5Confident68.8Low96 Ų96113.5 Ų113.547%0.47353%0.531SS..Hα-helixtrans-62.6-47176-81.3-69.6-68.800111F87 V88 L93 R94 T95F87-M91 HydrophobicContact CD1-CG 4.11Å; F87-M91 HydrophobicContact CE1-CG 3.7Å; F87-M91 HydrophobicContact CE1-SD 4.49Å; F87-M91 HydrophobicContact CZ-CG 3.95Å; F87-M91 HydrophobicContact CZ-SD 4.3Å; F87-M91 WeakPolarHBondContact O-CB 3.48Å; F87-M91 WeakPolarHBondContact O-CG 3.24Å; F87-M91 PolarHBondContact O-N 3.28Å; V88-M91 PolarHBondContact O-N 3.26Å; M91-L93 PolarHBondContact O-N 3.1Å; M91-R94 PolarHBondContact O-N 2.87Å; M91-T95 WeakPolarHBondContact O-CB 3.31Å; M91-T95 PolarHBondContact O-N 2.92Å; M91-T95 PolarHBondContact O-OG1 2.93Å
92I76.1Confident67.1Low109 Ų109116.5 Ų116.556%0.55956%0.557SS**Hα-helixtrans-58.6-47.4176.7-67.8165.8000111V88 Y96V88-I92 HydrophobicContact CG1-CD1 3.71Å; V88-I92 HydrophobicContact CG1-CG1 4.43Å; V88-I92 VanDerWaalsContact O-CG1 3.25Å; V88-I92 WeakPolarHBondContact O-CG1 3.17Å; V88-I92 PolarHBondContact O-N 2.82Å; I92-Y96 WeakPolarHBondContact O-CB 3.43Å; I92-Y96 PolarHBondContact O-N 2.88Å
93L72.7Confident65Low92 Ų92116 Ų11648%0.48257%0.568SS.*Hα-helixtrans-67.2-37.2179.6-74.3168.8000112.8R89 K90 M91 Y96 E97R89-L93 HydrophobicContact CG-CD1 4.18Å; R89-L93 WeakPolarHBondContact O-CB 3.32Å; R89-L93 VanDerWaalsContact O-CG 3.31Å; R89-L93 WeakPolarHBondContact O-CG 3.5Å; R89-L93 PolarHBondContact O-N 2.82Å; K90-L93 PolarHBondContact O-N 2.78Å; M91-L93 PolarHBondContact O-N 3.1Å; L93-Y96 WeakPolarHBondContact O-CB 3.25Å; L93-Y96 PolarHBondContact O-N 3.14Å; L93-E97 PolarHBondContact O-N 3.47Å
94R67.3Low63.2Low153 Ų153116 Ų11658%0.57758%0.581SS**Hα-helixtrans-69.6-41.1177.9-175178.2171.6177.21.5111.8K90 M91 Y96 E97 E98K90-R94 WeakPolarHBondContact O-CB 3.25Å; K90-R94 PolarHBondContact O-N 2.84Å; M91-R94 PolarHBondContact O-N 2.87Å; R94-Y96 PolarHBondContact O-N 3Å; R94-E97 PolarHBondContact O-N 3.46Å; R94-E98 HydrophobicContact CG-CG 4.5Å; R94-E98 IonicContact CZ-OE1 3Å; R94-E98 IonicContact NE-OE1 3.2Å; R94-E98 PolarHBondContact NE-OE1 2.86Å; R94-E98 IonicContact NH2-OE1 2.87Å; R94-E98 PolarHBondContact NH2-OE1 2.66Å; R94-E98 WeakPolarHBondContact O-CB 3.47Å; R94-E98 WeakPolarHBondContact O-CG 3.25Å; R94-E98 PolarHBondContact O-N 2.69Å
95T60Low61.1Low72 Ų72119 Ų11944%0.44259%0.593SS.*Hα-helixtrans-63.6-31.7172.3-54.70000111.4M91 S99M91-T95 WeakPolarHBondContact O-CB 3.31Å; M91-T95 PolarHBondContact O-N 2.92Å; M91-T95 PolarHBondContact O-OG1 2.93Å; T95-S99 WeakPolarHBondContact O-CB 2.98Å; T95-S99 PolarHBondContact O-N 3.47Å; T95-S99 PolarHBondContact O-OG 3.13Å
96Y62.7Low59Low158 Ų158119.6 Ų119.662%0.6260%0.599SS**Hα-helixtrans-69.2-42.1172.4-175.1-94.1000112.7I92 L93 R94 S99 I100I92-Y96 WeakPolarHBondContact O-CB 3.43Å; I92-Y96 PolarHBondContact O-N 2.88Å; L93-Y96 WeakPolarHBondContact O-CB 3.25Å; L93-Y96 PolarHBondContact O-N 3.14Å; R94-Y96 PolarHBondContact O-N 3Å; Y96-S99 PolarHBondContact O-N 3.02Å; Y96-S99 PolarHBondContact O-OG 3.44Å; Y96-I100 HydrophobicContact CE1-CD1 4.4Å
97E61.4Low57Low146 Ų146127.9 Ų127.968%0.68263%0.628SS**Hα-helixtrans-70-36.4176.6-77.5179.5167.600113L93 R94 S99L93-E97 PolarHBondContact O-N 3.47Å; R94-E97 PolarHBondContact O-N 3.46Å; E97-S99 PolarHBondContact O-N 3.48Å
98E52.7Low54.9Low132 Ų132129.8 Ų129.862%0.61764%0.638SS**THydrogen-bonded Turntrans-71.4-10.6177.1-72.5172.8-177.200113R94R94-E98 HydrophobicContact CG-CG 4.5Å; R94-E98 IonicContact CZ-OE1 3Å; R94-E98 IonicContact NE-OE1 3.2Å; R94-E98 PolarHBondContact NE-OE1 2.86Å; R94-E98 IonicContact NH2-OE1 2.87Å; R94-E98 PolarHBondContact NH2-OE1 2.66Å; R94-E98 WeakPolarHBondContact O-CB 3.47Å; R94-E98 WeakPolarHBondContact O-CG 3.25Å; R94-E98 PolarHBondContact O-N 2.69Å
99S49Very low52.4Low81 Ų81133.5 Ų133.557%0.56666%0.656SS**THydrogen-bonded Turntrans-105.35.2179.852.60000115T95 Y96 E97 P101T95-S99 WeakPolarHBondContact O-CB 2.98Å; T95-S99 PolarHBondContact O-N 3.47Å; T95-S99 PolarHBondContact O-OG 3.13Å; Y96-S99 PolarHBondContact O-N 3.02Å; Y96-S99 PolarHBondContact O-OG 3.44Å; E97-S99 PolarHBondContact O-N 3.48Å; S99-P101 WeakPolarHBondContact O-CD 3.48Å
100I44.2Very low50.7Low103 Ų103134.1 Ų134.153%0.52867%0.669SS.*  trans-83.1113.5172.9-58.6176.3000109.6Y96 T102Y96-I100 HydrophobicContact CE1-CD1 4.4Å; I100-T102 PolarHBondContact O-N 2.94Å
101P38Very low48.6Very low99 Ų99132.1 Ų132.164%0.64367%0.671SS**  trans-68.5121.8168.827.7-31.1000109.4S99 T103S99-P101 WeakPolarHBondContact O-CD 3.48Å; P101-T103 VanDerWaalsContact C-N 3.3Å; P101-T103 PolarHBondContact O-N 3.12Å
102T39Very low47.1Very low144 Ų144133 Ų13388%0.88368%0.684SS**  trans-64.889.3170.648.70000109.8I100I100-T102 PolarHBondContact O-N 2.94Å
103T32.4Very low45.6Very low121 Ų121136.1 Ų136.174%0.74270%0.701SS**  trans-133.7101.9165.614.50000108.1P101P101-T103 VanDerWaalsContact C-N 3.3Å; P101-T103 PolarHBondContact O-N 3.12Å
104S38Very low43.9Very low113 Ų113137.4 Ų137.479%0.7971%0.713SS**  trans-64.3125.5164.1161.20000108.3
105E37.7Very low42.5Very low146 Ų146140.8 Ų140.868%0.68273%0.725SS**  -176.9135.8117.3-99.6-172.8-167.600114.8
106K32.9Very low41.5Very low170 Ų170146.5 Ų146.574%0.73975%0.747SS**  trans76.398.6147.5-74.1171.1-176.71360121.2
107R37.4Very low40.6Very low242 Ų242148.5 Ų148.591%0.91375%0.753SS**  trans-40.3127.7139.6-81.8176.2164.7-178.9-4.1111.8
108Q35.9Very low40.1Very low170 Ų170144.5 Ų144.579%0.79475%0.751SS**  166.8120.6114.7-94.5174.2-19.200110
109N30.7Very low40.4Very low151 Ų151146.3 Ų146.381%0.80777%0.765SS**  trans148.7120.4135.5-76.1-37.3000109.5P111N109-P111 WeakPolarHBondContact O-CD 3.29Å
110I42Very low41.9Very low173 Ų173148.1 Ų148.189%0.88776%0.764SS**PPolyproline II helixtrans-85.9120.8172.5-62.6166.4000107
111P37Very low44Very low103 Ų103152.8 Ų152.867%0.66978%0.775SS**PPolyproline II helixtrans-101158.8156.72.819.9000110.3N109N109-P111 WeakPolarHBondContact O-CD 3.29Å
112P41Very low46.8Very low114 Ų114148.6 Ų148.674%0.7475%0.748SS**PPolyproline II helixtrans-71142.5-159.528.9-34.1000112.7V114P112-V114 PolarHBondContact O-N 2.87Å
113L44.6Very low49.5Very low176 Ų176142.7 Ų142.792%0.92171%0.713SS**  trans-3.785.5163.2-154.594.1000114R115L113-R115 PolarHBondContact O-N 2.88Å
114V38Very low52.5Low119 Ų119137 Ų13772%0.72168%0.679SS**  trans-67.8103.2167.4175.40000106.1P112 E116P112-V114 PolarHBondContact O-N 2.87Å; V114-E116 PolarHBondContact O-N 2.97Å; V114-E116 VanDerWaalsContact O-N 3.15Å
115R37Very low55.3Low223 Ų223133.3 Ų133.384%0.84265%0.649SS**  trans-20.5114.6159.7-178.5178.5-70.5-154.7-3.1109.7L113 R117L113-R115 PolarHBondContact O-N 2.88Å; R115-R117 VanDerWaalsContact C-N 3.3Å; R115-R117 PolarHBondContact O-N 3.01Å
116E39.1Very low58.1Low193 Ų193126.4 Ų126.490%0.90262%0.616SS**  trans-44.395.6176.8-77.1178.9147.600109.4V114 G118V114-E116 PolarHBondContact O-N 2.97Å; V114-E116 VanDerWaalsContact O-N 3.15Å; E116-G118 VanDerWaalsContact C-N 3.26Å; E116-G118 PolarHBondContact O-N 2.81Å
117R44.4Very low61.1Low199 Ų199118.3 Ų118.375%0.75158%0.581SS**  trans-77.694.2169.9-151.1-178-67-131.44.2101.9R115 L119R115-R117 VanDerWaalsContact C-N 3.3Å; R115-R117 PolarHBondContact O-N 3.01Å; R117-L119 PolarHBondContact O-N 3.39Å
118G51.4Low63.7Low62 Ų62106.8 Ų106.864%0.63954%0.538SS*.  trans-44.3141.7-178.400000110.1E116 Q120E116-G118 VanDerWaalsContact C-N 3.26Å; E116-G118 PolarHBondContact O-N 2.81Å; G118-Q120 PolarHBondContact O-N 3.27Å
119L59Low66.1Low171 Ų171100.3 Ų100.390%0.89551%0.51SS*.  trans-33.3113-174.2-110.283.6000110.8R117 R121R117-L119 PolarHBondContact O-N 3.39Å; L119-R121 PolarHBondContact O-N 3.3Å
120Q79.4Confident68Low119 Ų11997 Ų9756%0.55650%0.499SS*.  trans-65102.6-177.7-129.6169.8-31.900107.3G118 V122G118-Q120 PolarHBondContact O-N 3.27Å; Q120-V122 VanDerWaalsContact O-CG2 3.3Å; Q120-V122 WeakPolarHBondContact O-CG2 3.48Å; Q120-V122 PolarHBondContact O-N 2.86Å
121R89.8Confident68.9Low201 Ų20199.6 Ų99.676%0.75850%0.497SS*.  trans-60.3127.4-174.3-58.5171.180.7-175.97.1109.3L119 N165 N166L119-R121 PolarHBondContact O-N 3.3Å; R121-N165 WeakPolarHBondContact CB-ND2 3.42Å; R121-N165 PolarHBondContact O-ND2 3.28Å; R121-N166 PolarHBondContact O-ND2 2.84Å
122V95.8Very high69.5Low11 Ų11106 Ų1067%0.06751%0.508CS..  trans-113.799.6179.9-173.10000108.2Q120 N166 L167 Q178 Y182 F286 L287Q120-V122 VanDerWaalsContact O-CG2 3.3Å; Q120-V122 WeakPolarHBondContact O-CG2 3.48Å; Q120-V122 PolarHBondContact O-N 2.86Å; V122-N166 HydrophobicContact CB-CB 4.35Å; V122-N166 HydrophobicContact CG1-CB 4.14Å; V122-N166 HydrophobicContact CG2-CB 3.98Å; V122-L167 HydrophobicContact CG1-CD1 3.55Å; V122-Q178 HydrophobicContact CG2-CG 4.47Å; V122-Y182 HydrophobicContact CG1-CE1 3.8Å; V122-Y182 WeakPolarHBondContact CG1-OH 3.24Å; V122-F286 WeakPolarHBondContact O-CA 3.49Å; V122-L287 HydrophobicContact CB-CB 3.7Å; V122-L287 HydrophobicContact CB-CD2 4.05Å; V122-L287 HydrophobicContact CG1-CB 4.07Å; V122-L287 HydrophobicContact CG2-CB 4.46Å; V122-L287 HydrophobicContact CG2-CD2 3.88Å; V122-L287 PolarHBondContact O-N 3.44Å
123A96.1Very high69.9Low20 Ų20109.4 Ų109.417%0.16551%0.506CS..EExtended strand (participates in β ladder)trans-160.2150.7-176.600000112.2F163 N165 A285 F286A123-F163 HydrophobicContact CB-CE2 3.83Å; A123-F163 HydrophobicContact CB-CZ 4.17Å; A123-F163 WeakPolarHBondContact O-CE2 3.4Å; A123-N165 PolarHBondContact N-O 3.33Å; A123-N165 PolarHBondContact O-N 3.07Å; A123-A285 CarbonylContact C-O 3.45Å; A123-A285 VanDerWaalsContact CA-O 3.28Å; A123-A285 WeakPolarHBondContact CA-O 3.46Å; A123-F286 HydrophobicContact CB-CB 3.7Å
124A95.9Very high69.6Low1 Ų1105.6 Ų105.61%0.00849%0.494CS..EExtended strand (participates in β ladder)trans-140140.6175.600000110.3F163 L164 L167 L174 G284 A285A124-F163 WeakPolarHBondContact CA-O 3.13Å; A124-L164 HydrophobicContact CB-CD2 3.72Å; A124-L167 HydrophobicContact CB-CB 4.27Å; A124-L167 HydrophobicContact CB-CD1 4.36Å; A124-L167 HydrophobicContact CB-CD2 4.1Å; A124-L174 HydrophobicContact CB-CD1 4.07Å; A124-L174 HydrophobicContact CB-CD2 3.83Å; A124-G284 CarbonylContact O-C 3.44Å; A124-G284 WeakPolarHBondContact O-CA 3.45Å; A124-A285 PolarHBondContact N-O 3.46Å; A124-A285 PolarHBondContact O-N 2.89Å
125H96.5Very high69.7Low35 Ų35106.3 Ų106.316%0.16250%0.499CS..EExtended strand (participates in β ladder)trans-138.2119.2164.5-176.393000107.3T127 H161 S162 F163 Y185 F282H125-T127 WeakPolarHBondContact NE2-CG2 3.45Å; H125-H161 PolarHBondContact CD2-O 3.45Å; H125-S162 CarbonylContact O-C 3.58Å; H125-S162 WeakPolarHBondContact O-CA 3.27Å; H125-S162 WeakPolarHBondContact O-CB 3.47Å; H125-F163 HydrophobicContact CB-CD1 3.96Å; H125-F163 HydrophobicContact CB-CE1 3.59Å; H125-F163 HydrophobicContact CB-CZ 4.23Å; H125-F163 PolarHBondContact N-O 3.03Å; H125-F163 PolarHBondContact O-N 3.16Å; H125-F163 VanDerWaalsContact O-O 3.09Å; H125-Y185 AromaticContact ND1-CE2 3.75Å; H125-Y185 AromaticContact ND1-CZ 3.75Å; H125-Y185 PolarHBondContact ND1-OH 3.25Å; H125-F282 AromaticContact CE1-CD2 3.64Å; H125-F282 AromaticContact CE1-CG 3.68Å
126I95.8Very high69.9Low1 Ų1100.5 Ų100.51%0.00549%0.488CS..EExtended strand (participates in β ladder)trans-124.8140.4179.857.5179.9000109.1W154 L164 L169 L174 F282 F283I126-W154 HydrophobicContact CB-CB 4.3Å; I126-W154 HydrophobicContact CD1-CB 3.69Å; I126-W154 HydrophobicContact CD1-CD2 4.4Å; I126-W154 HydrophobicContact CD1-CG 3.75Å; I126-W154 HydrophobicContact CG1-CB 4.13Å; I126-W154 HydrophobicContact CG1-CD2 4.49Å; I126-W154 HydrophobicContact CG1-CG 4.23Å; I126-L164 HydrophobicContact CG2-CD2 3.88Å; I126-L164 HydrophobicContact CG2-CG 4.18Å; I126-L169 HydrophobicContact CD1-CD1 3.45Å; I126-L169 VanDerWaalsContact CD1-CD1 3.45Å; I126-L169 HydrophobicContact CD1-CD2 4.26Å; I126-L169 HydrophobicContact CD1-CG 4.39Å; I126-L174 HydrophobicContact CD1-CD1 4.42Å; I126-L174 HydrophobicContact CD1-CD2 3.96Å; I126-L174 HydrophobicContact CD1-CG 4.03Å; I126-F282 CarbonylContact O-C 3.5Å; I126-F282 VanDerWaalsContact O-CA 3.27Å; I126-F282 WeakPolarHBondContact O-CA 3.27Å; I126-F282 WeakPolarHBondContact O-CB 3.3Å; I126-F283 HydrophobicContact CD1-CB 4.43Å; I126-F283 HydrophobicContact CD1-CD1 4.04Å; I126-F283 HydrophobicContact CG1-CB 4.02Å; I126-F283 HydrophobicContact CG1-CD1 4.46Å; I126-F283 VanDerWaalsContact CG1-O 3.23Å; I126-F283 WeakPolarHBondContact CG1-O 3.28Å; I126-F283 PolarHBondContact N-O 2.94Å; I126-F283 PolarHBondContact O-N 2.8Å
127T95.3Very high69.9Low0 Ų096.4 Ų96.40%048%0.481CS..EExtended strand (participates in β ladder)trans-115.7164.1-172.858.20000110.6H125 W154 E155 H161 Q278 F282H125-T127 WeakPolarHBondContact NE2-CG2 3.45Å; T127-W154 WeakPolarHBondContact O-CA 3.44Å; T127-E155 PolarHBondContact O-N 2.88Å; T127-H161 HydrophobicContact CG2-CB 4.14Å; T127-Q278 WeakPolarHBondContact CB-O 3.41Å; T127-Q278 HydrophobicContact CG2-CB 4.38Å; T127-Q278 VanDerWaalsContact CG2-O 3.26Å; T127-Q278 WeakPolarHBondContact CG2-O 3.49Å; T127-F282 HydrophobicContact CG2-CB 4.17Å
128G92.3Very high70Confident0 Ų091.8 Ų91.80%047%0.47CS..BIsolated β-bridgetrans-63.7157.317400000112.8M276 Q278 S281G128-M276 CarbonylContact C-O 3.59Å; G128-M276 VanDerWaalsContact CA-O 3.23Å; G128-M276 WeakPolarHBondContact CA-O 3.33Å; G128-Q278 WeakPolarHBondContact O-CG 3.46Å; G128-S281 PolarHBondContact N-O 2.89Å
129T86.1Confident69.3Low35 Ų3594.5 Ų94.522%0.21548%0.476CS..  trans-106.5111.3174.551.30000110.7R131 A153 E155 M276T129-R131 PolarHBondContact O-N 3.27Å; T129-A153 PolarHBondContact N-O 3.18Å; T129-A153 PolarHBondContact OG1-O 3.39Å; T129-E155 HydrophobicContact CG2-CB 3.55Å; T129-E155 HydrophobicContact CG2-CG 4.17Å; T129-E155 WeakPolarHBondContact CG2-OE2 3.29Å; T129-M276 CarbonylContact C-O 3.55Å; T129-M276 PolarHBondContact N-O 2.81Å
130S71.7Confident68.9Low82 Ų8297 Ų9757%0.57347%0.474SS*.  trans-70.4-12.2176.5-163.90000112.8R132 D277S130-R132 PolarHBondContact O-N 3.05Å; S130-R132 VanDerWaalsContact O-N 3.1Å; S130-D277 WeakPolarHBondContact CB-OD1 3.37Å; S130-D277 PolarHBondContact OG-OD1 3.35Å
131R60.4Low67.3Low227 Ų22795.1 Ų95.186%0.85747%0.474SS*.SBendtrans-61.5118.5174.5-85.7-174175.8-169.5-0.9109.3T129 R133T129-R131 PolarHBondContact O-N 3.27Å; R131-R133 PolarHBondContact O-N 2.84Å
132R49.8Very low65.3Low238 Ų23895.3 Ų95.390%0.89848%0.48SS*.  trans-21.3121.5177.1-75.1-173.7177-173-0.6111.5S130 S134S130-R132 PolarHBondContact O-N 3.05Å; S130-R132 VanDerWaalsContact O-N 3.1Å; R132-S134 VanDerWaalsContact C-N 3.31Å; R132-S134 PolarHBondContact O-N 2.78Å
133R49.8Very low63.1Low185 Ų185101.4 Ų101.470%0.69851%0.512SS*.  trans-3395.6168.9-74.5-178.3-173.6160.66.8109.1R131 T135 Q272R131-R133 PolarHBondContact O-N 2.84Å; R133-T135 PolarHBondContact O-N 2.94Å; R133-T135 VanDerWaalsContact O-N 3.11Å; R133-Q272 PolarHBondContact NH2-O 3.2Å; R133-Q272 VanDerWaalsContact NH2-O 3.12Å
134S38.6Very low61.6Low95 Ų95104.5 Ų104.566%0.66452%0.524SS*.  trans-66.2117.3164.9550000103.5R132 V136R132-S134 VanDerWaalsContact C-N 3.31Å; R132-S134 PolarHBondContact O-N 2.78Å; S134-V136 PolarHBondContact O-N 3.02Å
135T38.9Very low61.1Low134 Ų134111.2 Ų111.282%0.82255%0.553SS**  trans-64.941.3178.548.70000112.1R133 S137R133-T135 PolarHBondContact O-N 2.94Å; R133-T135 VanDerWaalsContact O-N 3.11Å; T135-S137 PolarHBondContact O-N 3.44Å; T135-S137 VanDerWaalsContact O-N 3.11Å
136V41.2Very low60.8Low101 Ų101110.4 Ų110.461%0.61255%0.552SS**  trans-86.274.3166.8-170.20000105.8S134 I138S134-V136 PolarHBondContact O-N 3.02Å; V136-I138 HydrophobicContact CG1-CG1 4.04Å; V136-I138 PolarHBondContact O-N 2.92Å
137S40.1Very low60.7Low108 Ų108115 Ų11576%0.75558%0.576SS**  trans-62.589.7157.351.20000106.3T135T135-S137 PolarHBondContact O-N 3.44Å; T135-S137 VanDerWaalsContact O-N 3.11Å
138I45.3Very low60.6Low101 Ų101116.9 Ų116.952%0.51860%0.596SS.*PPolyproline II helixtrans-53.6133.2167.5-62175.3000106V136 R140V136-I138 HydrophobicContact CG1-CG1 4.04Å; V136-I138 PolarHBondContact O-N 2.92Å; I138-R140 PolarHBondContact O-N 2.93Å
139P38.5Very low60.8Low119 Ų119121.1 Ų121.177%0.77362%0.615SS**PPolyproline II helixtrans-50.7118.8-174.9-24.732000109.9S141P139-S141 PolarHBondContact O-N 3.47Å; P139-S141 VanDerWaalsContact O-N 3.07Å
140R50.4Low61.3Low224 Ų224121.6 Ų121.685%0.84562%0.615SS**PPolyproline II helixtrans-53118175.9-89.7160.883.41786.1107.9I138 K142I138-R140 PolarHBondContact O-N 2.93Å; R140-K142 PolarHBondContact O-N 3.28Å
141S45.7Very low62.4Low80 Ų80117.8 Ų117.856%0.55959%0.588SS**  trans-59106.8155.4166.80000106.2P139 N143P139-S141 PolarHBondContact O-N 3.47Å; P139-S141 VanDerWaalsContact O-N 3.07Å; S141-N143 PolarHBondContact O-N 3.45Å
142K47.7Very low63.9Low204 Ų204110.7 Ų110.789%0.88757%0.567SS**THydrogen-bonded Turntrans-632.2179.4-79.3-177.6174.7179.90113.6R140R140-K142 PolarHBondContact O-N 3.28Å
143N49.6Very low65.8Low139 Ų139101.1 Ų101.174%0.74354%0.539SS*.THydrogen-bonded Turntrans-117.610.7-169.7-67.8-9.8000114.3S141 K145S141-N143 PolarHBondContact O-N 3.45Å; N143-K145 PolarHBondContact O-N 3Å
144E63.7Low67.9Low86 Ų8692.9 Ų92.940%0.40251%0.508SS..  trans-78.7104.1179.9-140.5168.8-161.100109.8A146 K150E144-A146 PolarHBondContact O-N 2.93Å; E144-A146 VanDerWaalsContact O-N 3.14Å; E144-K150 IonicContact OE1-NZ 2.81Å; E144-K150 PolarHBondContact OE1-NZ 2.87Å; E144-K150 IonicContact OE2-NZ 3.99Å
145K85.3Confident70.2Confident142 Ų14290.5 Ų90.562%0.61749%0.486SS*.  trans-69.91.5178.4-63.5-169.2-166.3157.90114.4N143 D226N143-K145 PolarHBondContact O-N 3Å; K145-D226 HydrophobicContact CD-CB 4.41Å; K145-D226 WeakPolarHBondContact CD-OD1 3.37Å; K145-D226 WeakPolarHBondContact CE-OD1 3.16Å; K145-D226 IonicContact NZ-OD1 2.66Å; K145-D226 PolarHBondContact NZ-OD1 3.4Å; K145-D226 IonicContact NZ-OD2 3.55Å; K145-D226 PolarHBondContact NZ-OD2 2.88Å
146A90.3Very high71.8Confident18 Ų1888 Ų8815%0.14947%0.471CS..  trans-66.9141177.400000110.7E144 Y219 P227 F265E144-A146 PolarHBondContact O-N 2.93Å; E144-A146 VanDerWaalsContact O-N 3.14Å; A146-Y219 HydrophobicContact CB-CD1 4.45Å; A146-Y219 HydrophobicContact CB-CD2 4.22Å; A146-Y219 HydrophobicContact CB-CE1 4.16Å; A146-Y219 HydrophobicContact CB-CE2 3.9Å; A146-Y219 HydrophobicContact CB-CG 4.49Å; A146-P227 HydrophobicContact CB-CG 3.82Å; A146-F265 HydrophobicContact CB-CE2 4.23Å; A146-F265 HydrophobicContact CB-CZ 4.21Å
147L94.8Very high73.1Confident96 Ų9685.4 Ų85.450%0.50346%0.457SS..SBendtrans-76.4144.7173.9-62.1174.4000109.8Y217 Y219 S267L147-Y217 HydrophobicContact CB-CD2 4.39Å; L147-Y217 HydrophobicContact CB-CE1 4.1Å; L147-Y217 HydrophobicContact CB-CE2 3.96Å; L147-Y217 HydrophobicContact CD1-CE1 3.97Å; L147-Y219 WeakPolarHBondContact CB-OH 3.5Å; L147-Y219 PolarHBondContact N-OH 2.98Å; L147-S267 WeakPolarHBondContact O-CB 3.42Å; L147-S267 PolarHBondContact O-OG 3.02Å
148G93.6Very high74.3Confident41 Ų4189.9 Ų89.942%0.42346%0.458SS..SBendtrans80.7-162.8-178.900000113.6S267 V268G148-S267 WeakPolarHBondContact CA-OG 3.47Å; G148-V268 CarbonylContact C-O 2.98Å; G148-V268 VanDerWaalsContact CA-O 3.26Å; G148-V268 WeakPolarHBondContact CA-O 3.38Å
149Q95.3Very high75.2Confident88 Ų8893.4 Ų93.441%0.41147%0.469SS..EExtended strand (participates in β ladder)trans-115.9126.1175.9-65.1177.574.400108.9I151 S267 V268 E271Q149-I151 PolarHBondContact O-N 3.27Å; Q149-S267 PolarHBondContact N-OG 2.98Å; Q149-S267 VanDerWaalsContact N-OG 3.13Å; Q149-S267 CarbonylContact O-C 3.53Å; Q149-S267 VanDerWaalsContact O-CA 3.31Å; Q149-S267 WeakPolarHBondContact O-CA 3.43Å; Q149-S267 PolarHBondContact O-OG 2.84Å; Q149-V268 PolarHBondContact N-O 3.21Å; Q149-V268 PolarHBondContact O-N 2.88Å; Q149-E271 HydrophobicContact CB-CB 4.1Å; Q149-E271 WeakPolarHBondContact CB-OE2 3.29Å; Q149-E271 PolarHBondContact OE1-OE2 3.08Å
150K96.1Very high76.8Confident45 Ų4591.1 Ų91.120%0.19647%0.468CS..EExtended strand (participates in β ladder)trans-66.5125.6178.6178.1168.270.9-165.90110.2E144 N152 E173 F265 V266E144-K150 IonicContact OE1-NZ 2.81Å; E144-K150 PolarHBondContact OE1-NZ 2.87Å; E144-K150 IonicContact OE2-NZ 3.99Å; K150-N152 PolarHBondContact O-N 3.29Å; K150-E173 HydrophobicContact CD-CG 4.47Å; K150-E173 IonicContact NZ-OE1 2.74Å; K150-E173 PolarHBondContact NZ-OE1 2.98Å; K150-F265 HydrophobicContact CB-CD2 4.22Å; K150-F265 HydrophobicContact CB-CE2 4.43Å; K150-F265 HydrophobicContact CD-CB 4Å; K150-F265 HydrophobicContact CD-CD1 4.4Å; K150-F265 HydrophobicContact CD-CD2 3.45Å; K150-F265 VanDerWaalsContact CD-CD2 3.45Å; K150-F265 HydrophobicContact CD-CE2 3.93Å; K150-F265 HydrophobicContact CD-CG 3.7Å; K150-F265 HydrophobicContact CG-CB 4.32Å; K150-F265 HydrophobicContact CG-CD2 3.65Å; K150-F265 HydrophobicContact CG-CE2 4.27Å; K150-F265 HydrophobicContact CG-CG 4.23Å; K150-V266 WeakPolarHBondContact CA-O 3.4Å
151I94.9Very high78.3Confident3 Ų386 Ų862%0.01545%0.453CS..  trans-75.6117174.4-58.4176.4000108.4Q149 W154 T188 V266 V268 M276Q149-I151 PolarHBondContact O-N 3.27Å; I151-W154 HydrophobicContact CB-CZ2 3.78Å; I151-W154 HydrophobicContact CD1-CH2 4.16Å; I151-W154 HydrophobicContact CD1-CZ2 3.9Å; I151-W154 HydrophobicContact CG1-CZ2 4.45Å; I151-W154 HydrophobicContact CG2-CD2 4.1Å; I151-W154 HydrophobicContact CG2-CH2 4.07Å; I151-W154 HydrophobicContact CG2-CZ2 3.51Å; I151-W154 PolarHBondContact O-NE1 3.35Å; I151-W154 VanDerWaalsContact O-NE1 3.16Å; I151-T188 HydrophobicContact CD1-CG2 3.84Å; I151-V266 HydrophobicContact CD1-CG1 4.13Å; I151-V266 PolarHBondContact N-O 3.09Å; I151-V268 HydrophobicContact CD1-CG1 3.8Å; I151-V268 HydrophobicContact CD1-CG2 4.02Å; I151-V268 HydrophobicContact CG1-CG1 4.45Å; I151-V268 HydrophobicContact CG1-CG2 3.97Å; I151-M276 HydrophobicContact CG2-CE 3.68Å; I151-M276 HydrophobicContact CG2-SD 4.26Å
152N92.1Very high80.5Confident77 Ų7782.5 Ų82.541%0.41243%0.428SS..  trans-107.2-12.9179.763.79.4000114K150 W154K150-N152 PolarHBondContact O-N 3.29Å; N152-W154 VanDerWaalsContact C-N 3.26Å; N152-W154 PolarHBondContact O-N 3.49Å; N152-W154 VanDerWaalsContact O-N 3.14Å
153A90.1Very high82.6Confident38 Ų3877.6 Ų77.631%0.31441%0.407SS..  trans-89.241.4-171.600000113.6T129 M276T129-A153 PolarHBondContact N-O 3.18Å; T129-A153 PolarHBondContact OG1-O 3.39Å; A153-M276 HydrophobicContact CB-CE 4.12Å; A153-M276 VanDerWaalsContact O-CE 3.31Å; A153-M276 WeakPolarHBondContact O-CE 3.31Å
154W93.3Very high84.7Confident11 Ų1172 Ų724%0.04238%0.377CS..BIsolated β-bridgetrans-82141.4173.5-55.8117.1000111.2I126 T127 I151 N152 L169 V266 M276 F283I126-W154 HydrophobicContact CB-CB 4.3Å; I126-W154 HydrophobicContact CD1-CB 3.69Å; I126-W154 HydrophobicContact CD1-CD2 4.4Å; I126-W154 HydrophobicContact CD1-CG 3.75Å; I126-W154 HydrophobicContact CG1-CB 4.13Å; I126-W154 HydrophobicContact CG1-CD2 4.49Å; I126-W154 HydrophobicContact CG1-CG 4.23Å; T127-W154 WeakPolarHBondContact O-CA 3.44Å; I151-W154 HydrophobicContact CB-CZ2 3.78Å; I151-W154 HydrophobicContact CD1-CH2 4.16Å; I151-W154 HydrophobicContact CD1-CZ2 3.9Å; I151-W154 HydrophobicContact CG1-CZ2 4.45Å; I151-W154 HydrophobicContact CG2-CD2 4.1Å; I151-W154 HydrophobicContact CG2-CH2 4.07Å; I151-W154 HydrophobicContact CG2-CZ2 3.51Å; I151-W154 PolarHBondContact O-NE1 3.35Å; I151-W154 VanDerWaalsContact O-NE1 3.16Å; N152-W154 VanDerWaalsContact C-N 3.26Å; N152-W154 PolarHBondContact O-N 3.49Å; N152-W154 VanDerWaalsContact O-N 3.14Å; W154-L169 HydrophobicContact CB-CD2 3.8Å; W154-V266 HydrophobicContact CZ2-CB 4.12Å; W154-V266 HydrophobicContact CZ2-CG2 4.24Å; W154-M276 HydrophobicContact CE3-CE 4.05Å; W154-M276 HydrophobicContact CZ3-CE 4.04Å; W154-F283 HydrophobicContact CD2-CB 4.48Å; W154-F283 HydrophobicContact CH2-CB 4.24Å; W154-F283 HydrophobicContact CZ2-CB 4.01Å
155E87.2Confident86.1Confident46 Ų4670.8 Ų70.822%0.21537%0.373CS..  trans-70.1137.7176.9-172.649.5-97.100110.6T127 T129 S157T127-E155 PolarHBondContact O-N 2.88Å; T129-E155 HydrophobicContact CG2-CB 3.55Å; T129-E155 HydrophobicContact CG2-CG 4.17Å; T129-E155 WeakPolarHBondContact CG2-OE2 3.29Å; E155-S157 VanDerWaalsContact OE1-CB 3.29Å; E155-S157 WeakPolarHBondContact OE1-CB 3.23Å; E155-S157 PolarHBondContact OE1-N 3.2Å; E155-S157 PolarHBondContact OE1-OG 3.46Å
156T72.9Confident86.5Confident80 Ų8065.6 Ų65.649%0.49135%0.353SS..  trans-108.9-15.2177.554.40000112.8R158 L169T156-R158 PolarHBondContact O-N 2.92Å; T156-L169 HydrophobicContact CG2-CB 3.99Å; T156-L169 HydrophobicContact CG2-CD2 3.42Å; T156-L169 VanDerWaalsContact CG2-CD2 3.42Å; T156-L169 HydrophobicContact CG2-CG 4.22Å
157S68.7Low86.7Confident48 Ų4865.1 Ų65.134%0.33635%0.347SS..  trans-65.1131.2-177.283.30000110.1E155 K159 S162E155-S157 VanDerWaalsContact OE1-CB 3.29Å; E155-S157 WeakPolarHBondContact OE1-CB 3.23Å; E155-S157 PolarHBondContact OE1-N 3.2Å; E155-S157 PolarHBondContact OE1-OG 3.46Å; S157-K159 PolarHBondContact O-N 3.39Å; S157-S162 PolarHBondContact O-OG 3.32Å
158R64.7Low86.7Confident201 Ų20163.9 Ų63.976%0.75834%0.339SS*.SBendtrans-74.127.2174.6-65.6-175172.3-168.4-3.3112.5T156 L164T156-R158 PolarHBondContact O-N 2.92Å; R158-L164 PolarHBondContact NH2-O 2.87Å
159K63.3Low86.8Confident175 Ų17563.4 Ų63.476%0.76133%0.326SS*.SBendtrans-119.3122.7-174.9-67.2-172.8178.6-176.50108.7S157S157-K159 PolarHBondContact O-N 3.39Å
160G72.6Confident86.7Confident72 Ų7266.6 Ų66.674%0.74234%0.335SS*.SBendtrans94.5-133.2177.600000113S162G160-S162 VanDerWaalsContact C-N 3.32Å; G160-S162 PolarHBondContact O-N 2.94Å
161H81.5Confident86.4Confident117 Ų11769.5 Ų69.554%0.54235%0.352SS..SBendtrans-78.2-11.4-172-62.1-71.9000114.2H125 T127H125-H161 PolarHBondContact CD2-O 3.45Å; T127-H161 HydrophobicContact CG2-CB 4.14Å
162S91.8Very high86.3Confident5 Ų569.4 Ų69.44%0.03535%0.352CS..  trans-105.5141.3-177.652.90000114.1H125 S157 G160H125-S162 CarbonylContact O-C 3.58Å; H125-S162 WeakPolarHBondContact O-CA 3.27Å; H125-S162 WeakPolarHBondContact O-CB 3.47Å; S157-S162 PolarHBondContact O-OG 3.32Å; G160-S162 VanDerWaalsContact C-N 3.32Å; G160-S162 PolarHBondContact O-N 2.94Å
163F92.8Very high86.5Confident101 Ų10166.6 Ų66.644%0.44334%0.336SS..EExtended strand (participates in β ladder)trans-149.1155.7173.473.5-88000112.7A123 A124 H125 N165A123-F163 HydrophobicContact CB-CE2 3.83Å; A123-F163 HydrophobicContact CB-CZ 4.17Å; A123-F163 WeakPolarHBondContact O-CE2 3.4Å; A124-F163 WeakPolarHBondContact CA-O 3.13Å; H125-F163 HydrophobicContact CB-CD1 3.96Å; H125-F163 HydrophobicContact CB-CE1 3.59Å; H125-F163 HydrophobicContact CB-CZ 4.23Å; H125-F163 PolarHBondContact N-O 3.03Å; H125-F163 PolarHBondContact O-N 3.16Å; H125-F163 VanDerWaalsContact O-O 3.09Å; F163-N165 HydrophobicContact CD2-CB 4.48Å
164L93.8Very high86.9Confident23 Ų2364.8 Ų64.812%0.1232%0.321CS..EExtended strand (participates in β ladder)trans-134.6118.9176.6-70.3166.7000108.7A124 I126 R158 L169 L174A124-L164 HydrophobicContact CB-CD2 3.72Å; I126-L164 HydrophobicContact CG2-CD2 3.88Å; I126-L164 HydrophobicContact CG2-CG 4.18Å; R158-L164 PolarHBondContact NH2-O 2.87Å; L164-L169 HydrophobicContact CD1-CB 4.22Å; L164-L174 HydrophobicContact CD2-CD2 3.55Å
165N93.4Very high87.1Confident59 Ų5964.6 Ų64.632%0.31632%0.322SS..EExtended strand (participates in β ladder)trans-134.2114.1179.1-166.318.7000111.2R121 A123 F163 L167R121-N165 WeakPolarHBondContact CB-ND2 3.42Å; R121-N165 PolarHBondContact O-ND2 3.28Å; A123-N165 PolarHBondContact N-O 3.33Å; A123-N165 PolarHBondContact O-N 3.07Å; F163-N165 HydrophobicContact CD2-CB 4.48Å; N165-L167 VanDerWaalsContact O-CD1 3.28Å; N165-L167 WeakPolarHBondContact O-CD1 3.37Å; N165-L167 PolarHBondContact O-N 3.11Å
166N93.9Very high87.6Confident34 Ų3462.4 Ų62.418%0.18231%0.312CS..SBendtrans54.527.8-171.2-56.6-59.1000114.1R121 V122 H177R121-N166 PolarHBondContact O-ND2 2.84Å; V122-N166 HydrophobicContact CB-CB 4.35Å; V122-N166 HydrophobicContact CG1-CB 4.14Å; V122-N166 HydrophobicContact CG2-CB 3.98Å; N166-H177 WeakPolarHBondContact O-CB 3.39Å; N166-H177 PolarHBondContact O-ND1 2.92Å
167L94.6Very high88.7Confident8 Ų862.3 Ų62.34%0.04231%0.305CS..EExtended strand (participates in β ladder)trans-140.7161.4164.1-66.688.6000107.1V122 A124 N165 L174 I176 Y182V122-L167 HydrophobicContact CG1-CD1 3.55Å; A124-L167 HydrophobicContact CB-CB 4.27Å; A124-L167 HydrophobicContact CB-CD1 4.36Å; A124-L167 HydrophobicContact CB-CD2 4.1Å; N165-L167 VanDerWaalsContact O-CD1 3.28Å; N165-L167 WeakPolarHBondContact O-CD1 3.37Å; N165-L167 PolarHBondContact O-N 3.11Å; L167-L174 HydrophobicContact CD2-CB 4.48Å; L167-I176 HydrophobicContact CD2-CD1 3.75Å; L167-Y182 HydrophobicContact CD2-CE1 4.49Å
168H94.8Very high90Very high70 Ų7063.1 Ų63.132%0.32430%0.304SS..EExtended strand (participates in β ladder)trans-137.1155.7169.469.5-75.8000111.7V175 H177H168-V175 WeakPolarHBondContact CE1-CB 3.36Å; H168-V175 VanDerWaalsContact CE1-CG1 3.42Å; H168-V175 WeakPolarHBondContact CE1-CG1 3.31Å; H168-V175 PolarHBondContact N-O 3.03Å; H168-V175 PolarHBondContact O-N 3.25Å; H168-H177 AromaticContact CE1-NE2 3.38Å; H168-H177 PolarHBondContact CE1-NE2 3.34Å; H168-H177 AromaticContact CG-NE2 3.98Å; H168-H177 AromaticContact ND1-CD2 3.74Å; H168-H177 AromaticContact ND1-CE1 3.44Å; H168-H177 PolarHBondContact ND1-CE1 3.16Å; H168-H177 AromaticContact ND1-NE2 2.84Å; H168-H177 PolarHBondContact ND1-NE2 3.48Å
169L94.3Very high91.5Very high30 Ų3057.4 Ų57.416%0.15729%0.291CS..EExtended strand (participates in β ladder)trans-93.8132.8174.2-169.970.5000110I126 W154 T156 L164 E173 L174I126-L169 HydrophobicContact CD1-CD1 3.45Å; I126-L169 VanDerWaalsContact CD1-CD1 3.45Å; I126-L169 HydrophobicContact CD1-CD2 4.26Å; I126-L169 HydrophobicContact CD1-CG 4.39Å; W154-L169 HydrophobicContact CB-CD2 3.8Å; T156-L169 HydrophobicContact CG2-CB 3.99Å; T156-L169 HydrophobicContact CG2-CD2 3.42Å; T156-L169 VanDerWaalsContact CG2-CD2 3.42Å; T156-L169 HydrophobicContact CG2-CG 4.22Å; L164-L169 HydrophobicContact CD1-CB 4.22Å; L169-E173 CarbonylContact C-O 3.56Å; L169-E173 WeakPolarHBondContact CA-O 3.46Å; L169-E173 WeakPolarHBondContact CD1-O 3.38Å; L169-L174 HydrophobicContact CD1-CD2 4.27Å; L169-L174 HydrophobicContact CD1-CG 4.45Å
170R92.9Very high93Very high155 Ų15549.4 Ų49.459%0.58526%0.259SS*.EExtended strand (participates in β ladder)trans-138.5119.1171.9-177179.5178.7-176.9-0.7109.5G172 E173 V175R170-G172 PolarHBondContact O-N 3.45Å; R170-G172 VanDerWaalsContact O-N 3.16Å; R170-E173 PolarHBondContact N-O 3.49Å; R170-E173 WeakPolarHBondContact O-CB 3.33Å; R170-E173 PolarHBondContact O-N 3.03Å; R170-V175 HydrophobicContact CB-CG2 4.08Å
171N90.4Very high94.2Very high106 Ų10650.3 Ų50.357%0.56724%0.242SC*.THydrogen-bonded Turntrans53.235177.8-57.6-22.5000114.4E173N171-E173 VanDerWaalsContact C-N 3.32Å
172G92.4Very high95Very high1 Ų144.7 Ų44.71%0.0122%0.217CC..THydrogen-bonded Turntrans831.7-176.300000115.4R170R170-G172 PolarHBondContact O-N 3.45Å; R170-G172 VanDerWaalsContact O-N 3.16Å
173E97.2Very high95.4Very high18 Ų1847.2 Ų47.28%0.08423%0.226CC..EExtended strand (participates in β ladder)trans-103.8128.8178.1-69.2158.2-144.600111.2K150 L169 R170 N171 R263 I264 F265K150-E173 HydrophobicContact CD-CG 4.47Å; K150-E173 IonicContact NZ-OE1 2.74Å; K150-E173 PolarHBondContact NZ-OE1 2.98Å; L169-E173 CarbonylContact C-O 3.56Å; L169-E173 WeakPolarHBondContact CA-O 3.46Å; L169-E173 WeakPolarHBondContact CD1-O 3.38Å; R170-E173 PolarHBondContact N-O 3.49Å; R170-E173 WeakPolarHBondContact O-CB 3.33Å; R170-E173 PolarHBondContact O-N 3.03Å; N171-E173 VanDerWaalsContact C-N 3.32Å; E173-R263 HydrophobicContact CB-CB 4.14Å; E173-R263 HydrophobicContact CG-CB 4.47Å; E173-R263 WeakPolarHBondContact OE2-CB 3.38Å; E173-R263 WeakPolarHBondContact OE2-CD 3.44Å; E173-R263 IonicContact OE2-CZ 2.8Å; E173-R263 IonicContact OE2-NE 2.72Å; E173-R263 PolarHBondContact OE2-NE 3.01Å; E173-I264 CarbonylContact C-O 3.59Å; E173-I264 VanDerWaalsContact CA-O 3.26Å; E173-I264 WeakPolarHBondContact CA-O 3.23Å; E173-F265 HydrophobicContact CB-CB 4.47Å; E173-F265 HydrophobicContact CG-CB 3.67Å; E173-F265 HydrophobicContact CG-CD1 3.87Å; E173-F265 HydrophobicContact CG-CG 4.07Å
174L97.7Very high95.7Very high0 Ų042.4 Ų42.40%021%0.205CC..EExtended strand (participates in β ladder)trans-76.8122.5166.7-72.5172.2000108.4A124 I126 L164 L167 L169 R263 I264 F283A124-L174 HydrophobicContact CB-CD1 4.07Å; A124-L174 HydrophobicContact CB-CD2 3.83Å; I126-L174 HydrophobicContact CD1-CD1 4.42Å; I126-L174 HydrophobicContact CD1-CD2 3.96Å; I126-L174 HydrophobicContact CD1-CG 4.03Å; L164-L174 HydrophobicContact CD2-CD2 3.55Å; L167-L174 HydrophobicContact CD2-CB 4.48Å; L169-L174 HydrophobicContact CD1-CD2 4.27Å; L169-L174 HydrophobicContact CD1-CG 4.45Å; L174-R263 CarbonylContact O-C 3.56Å; L174-R263 WeakPolarHBondContact O-CA 3.4Å; L174-I264 HydrophobicContact CB-CD1 4.25Å; L174-I264 HydrophobicContact CB-CG1 3.74Å; L174-I264 HydrophobicContact CD1-CD1 4.39Å; L174-I264 PolarHBondContact N-O 2.74Å; L174-I264 PolarHBondContact O-N 3.48Å; L174-F283 HydrophobicContact CB-CE1 4.32Å; L174-F283 HydrophobicContact CD1-CD1 3.92Å; L174-F283 HydrophobicContact CD1-CE1 3.7Å; L174-F283 HydrophobicContact CD1-CG 4.44Å; L174-F283 HydrophobicContact CD1-CZ 4.07Å; L174-F283 HydrophobicContact CG-CD1 4.22Å; L174-F283 HydrophobicContact CG-CE1 3.92Å
175V97.9Very high95.9Very high8 Ų843 Ų435%0.04821%0.206CC..EExtended strand (participates in β ladder)trans-101128.4179.8-174.50000109.5H168 R170 R263H168-V175 WeakPolarHBondContact CE1-CB 3.36Å; H168-V175 VanDerWaalsContact CE1-CG1 3.42Å; H168-V175 WeakPolarHBondContact CE1-CG1 3.31Å; H168-V175 PolarHBondContact N-O 3.03Å; H168-V175 PolarHBondContact O-N 3.25Å; R170-V175 HydrophobicContact CB-CG2 4.08Å; V175-R263 HydrophobicContact CG1-CG 4.4Å; V175-R263 HydrophobicContact CG2-CG 4.11Å
176I97.9Very high96.2Very high0 Ų040.2 Ų40.20%019%0.191CC..EExtended strand (participates in β ladder)trans-82.6129.9-174.8-56.8-55.6000110.6L167 Q178 Y182 L258 N261 D262 I264L167-I176 HydrophobicContact CD2-CD1 3.75Å; I176-Q178 WeakPolarHBondContact CG2-O 3.49Å; I176-Y182 HydrophobicContact CD1-CD1 4.35Å; I176-Y182 HydrophobicContact CD1-CE1 4.14Å; I176-Y182 HydrophobicContact CG2-CE2 3.78Å; I176-L258 HydrophobicContact CD1-CD1 3.52Å; I176-L258 HydrophobicContact CG1-CB 3.99Å; I176-L258 HydrophobicContact CG1-CD1 3.61Å; I176-L258 HydrophobicContact CG1-CG 4.42Å; I176-L258 HydrophobicContact CG2-CB 4.25Å; I176-N261 PolarHBondContact O-N 3.23Å; I176-D262 HydrophobicContact CG1-CB 4.36Å; I176-D262 WeakPolarHBondContact CG1-O 3.36Å; I176-D262 PolarHBondContact N-O 3.16Å; I176-I264 HydrophobicContact CD1-CD1 4.5Å
177H96.3Very high96.4Very high77 Ų7740.6 Ų40.636%0.35619%0.191SC..SBendtrans-101.6-18176.6-65.2165000114N166 H168N166-H177 WeakPolarHBondContact O-CB 3.39Å; N166-H177 PolarHBondContact O-ND1 2.92Å; H168-H177 AromaticContact CE1-NE2 3.38Å; H168-H177 PolarHBondContact CE1-NE2 3.34Å; H168-H177 AromaticContact CG-NE2 3.98Å; H168-H177 AromaticContact ND1-CD2 3.74Å; H168-H177 AromaticContact ND1-CE1 3.44Å; H168-H177 PolarHBondContact ND1-CE1 3.16Å; H168-H177 AromaticContact ND1-NE2 2.84Å; H168-H177 PolarHBondContact ND1-NE2 3.48Å
178Q95.5Very high96.6Very high65 Ų6540.2 Ų40.230%0.30419%0.189SC..SBendtrans-131.5126.7-178.1-63.4-175.634.400109.3V122 I176 Y182V122-Q178 HydrophobicContact CG2-CG 4.47Å; I176-Q178 WeakPolarHBondContact CG2-O 3.49Å; Q178-Y182 VanDerWaalsContact O-CE2 3.25Å; Q178-Y182 WeakPolarHBondContact O-CE2 3.27Å; Q178-Y182 PolarHBondContact O-OH 3.25Å
179T96.5Very high96.7Very high81 Ų8138.9 Ų38.950%0.49718%0.182SC..  trans-64.8137.1174.1-61.10000110.2L258 E260T179-L258 VanDerWaalsContact CA-O 3.3Å; T179-L258 WeakPolarHBondContact CA-O 3.41Å; T179-E260 PolarHBondContact OG1-N 3.03Å
180G95.7Very high96.9Very high8 Ų837.5 Ų37.58%0.08217%0.174CC..EExtended strand (participates in β ladder)trans163.1-169174.800000113Y182 L258 G289G180-Y182 WeakPolarHBondContact O-CD2 3.48Å; G180-L258 PolarHBondContact N-O 3.33Å; G180-L258 PolarHBondContact O-N 3.39Å; G180-G289 WeakPolarHBondContact CA-O 3.44Å
181F97.6Very high97Very high90 Ų9036.5 Ų36.540%0.39517%0.17SC..EExtended strand (participates in β ladder)trans-89.8119.8178.2-65.9-73.1000110.9I255 E257 I288 G289F181-I255 HydrophobicContact CB-CG2 4.02Å; F181-I255 HydrophobicContact CD1-CG2 4.42Å; F181-E257 HydrophobicContact CD1-CB 3.92Å; F181-E257 HydrophobicContact CD1-CG 4.39Å; F181-E257 HydrophobicContact CE1-CB 3.72Å; F181-E257 HydrophobicContact CE1-CG 4.08Å; F181-I288 PolarHBondContact O-N 3.48Å; F181-G289 PolarHBondContact N-O 2.89Å
182Y98.4Very high97.2Very high0 Ų032.2 Ų32.20%015%0.147CC..EExtended strand (participates in β ladder)trans-108.9130.5179.2-73.2-100.5000110.6V122 L167 I176 Q178 G180 I184 I255 F256 L258 A285 F286 L287V122-Y182 HydrophobicContact CG1-CE1 3.8Å; V122-Y182 WeakPolarHBondContact CG1-OH 3.24Å; L167-Y182 HydrophobicContact CD2-CE1 4.49Å; I176-Y182 HydrophobicContact CD1-CD1 4.35Å; I176-Y182 HydrophobicContact CD1-CE1 4.14Å; I176-Y182 HydrophobicContact CG2-CE2 3.78Å; Q178-Y182 VanDerWaalsContact O-CE2 3.25Å; Q178-Y182 WeakPolarHBondContact O-CE2 3.27Å; Q178-Y182 PolarHBondContact O-OH 3.25Å; G180-Y182 WeakPolarHBondContact O-CD2 3.48Å; Y182-I184 PolarHBondContact O-N 3.34Å; Y182-I255 VanDerWaalsContact O-CA 3.29Å; Y182-I255 WeakPolarHBondContact O-CA 3.34Å; Y182-F256 PolarHBondContact N-O 2.97Å; Y182-F256 PolarHBondContact O-N 3.06Å; Y182-L258 HydrophobicContact CD2-CB 3.85Å; Y182-L258 HydrophobicContact CD2-CD1 3.78Å; Y182-L258 HydrophobicContact CD2-CG 3.96Å; Y182-L258 HydrophobicContact CE2-CB 4.21Å; Y182-L258 HydrophobicContact CG-CD1 3.81Å; Y182-L258 HydrophobicContact CG-CG 4.4Å; Y182-A285 HydrophobicContact CD1-CB 4.3Å; Y182-F286 VanDerWaalsContact CA-O 3.31Å; Y182-F286 WeakPolarHBondContact CA-O 3.41Å; Y182-L287 HydrophobicContact CD1-CB 4.44Å; Y182-L287 HydrophobicContact CD2-CD1 4.15Å; Y182-L287 HydrophobicContact CE1-CB 4.04Å; Y182-L287 HydrophobicContact CE1-CD1 4.38Å; Y182-L287 HydrophobicContact CE2-CD1 3.69Å
183Y98.7Very high97.1Very high58 Ų5839.7 Ų39.723%0.22718%0.182CC..EExtended strand (participates in β ladder)trans-78.6116.8158-177-96.3000108.2Y185 Y251 G254 I255 A285 F286Y183-Y185 AromaticContact CD1-CD1 3.77Å; Y183-Y185 HydrophobicContact CD1-CD1 3.77Å; Y183-Y185 HydrophobicContact CD1-CG 4.49Å; Y183-Y185 AromaticContact CE1-CD1 3.74Å; Y183-Y185 HydrophobicContact CE1-CD1 3.74Å; Y183-Y185 HydrophobicContact CE1-CG 4.05Å; Y183-Y251 PolarHBondContact OH-OH 3.34Å; Y183-Y251 VanDerWaalsContact OH-OH 3.14Å; Y183-G254 WeakPolarHBondContact CA-O 3.25Å; Y183-I255 HydrophobicContact CD2-CG1 4Å; Y183-A285 CarbonylContact O-C 3.6Å; Y183-A285 WeakPolarHBondContact O-CA 3.37Å; Y183-F286 HydrophobicContact CD1-CD1 4.21Å; Y183-F286 AromaticContact CD1-CE1 3.38Å; Y183-F286 HydrophobicContact CD1-CE1 3.38Å; Y183-F286 AromaticContact CD1-CZ 3.76Å; Y183-F286 HydrophobicContact CD1-CZ 3.76Å; Y183-F286 HydrophobicContact CE1-CE1 4.26Å; Y183-F286 AromaticContact CG-CE1 3.94Å; Y183-F286 HydrophobicContact CG-CE1 3.94Å; Y183-F286 AromaticContact CG-CZ 3.87Å; Y183-F286 HydrophobicContact CG-CZ 3.87Å; Y183-F286 PolarHBondContact N-O 3.35Å; Y183-F286 PolarHBondContact O-N 3.34Å
184I98.8Very high96.5Very high0 Ų039.6 Ų39.60%018%0.181CC..EExtended strand (participates in β ladder)trans-108.5135.3-179.7-52.9168000107.6Y182 I218 L230 M231 G253 G254 F256 L258 I264 F283 A285Y182-I184 PolarHBondContact O-N 3.34Å; I184-I218 HydrophobicContact CG2-CD1 4.49Å; I184-I218 HydrophobicContact CG2-CG2 3.94Å; I184-L230 HydrophobicContact CD1-CD1 3.69Å; I184-M231 HydrophobicContact CB-CE 4.09Å; I184-M231 HydrophobicContact CG2-CE 4.3Å; I184-G253 CarbonylContact O-C 3.49Å; I184-G253 WeakPolarHBondContact O-CA 3.43Å; I184-G254 PolarHBondContact N-O 3.37Å; I184-G254 PolarHBondContact O-N 3.3Å; I184-F256 HydrophobicContact CD1-CB 4.15Å; I184-F256 HydrophobicContact CD1-CD2 3.97Å; I184-F256 HydrophobicContact CD1-CG 4.4Å; I184-L258 HydrophobicContact CD1-CD1 3.99Å; I184-L258 HydrophobicContact CD1-CD2 4.39Å; I184-L258 HydrophobicContact CG1-CD1 4.49Å; I184-I264 HydrophobicContact CD1-CD1 4.03Å; I184-I264 HydrophobicContact CD1-CG2 4.23Å; I184-I264 HydrophobicContact CG1-CD1 4Å; I184-I264 HydrophobicContact CG2-CD1 3.89Å; I184-F283 HydrophobicContact CG2-CE2 3.64Å; I184-F283 HydrophobicContact CG2-CZ 4.27Å; I184-A285 HydrophobicContact CG1-CB 4.29Å
185Y98.9Very high95.6Very high36 Ų3644.1 Ų44.114%0.14121%0.21CC..EExtended strand (participates in β ladder)trans-145.4151.5178.564.7-84.6000112.3H125 Y183 Y251 Q252 F282 F283 G284 F286H125-Y185 AromaticContact ND1-CE2 3.75Å; H125-Y185 AromaticContact ND1-CZ 3.75Å; H125-Y185 PolarHBondContact ND1-OH 3.25Å; Y183-Y185 AromaticContact CD1-CD1 3.77Å; Y183-Y185 HydrophobicContact CD1-CD1 3.77Å; Y183-Y185 HydrophobicContact CD1-CG 4.49Å; Y183-Y185 AromaticContact CE1-CD1 3.74Å; Y183-Y185 HydrophobicContact CE1-CD1 3.74Å; Y183-Y185 HydrophobicContact CE1-CG 4.05Å; Y185-Y251 WeakPolarHBondContact CB-OH 3.43Å; Y185-Y251 HydrophobicContact CD2-CE2 4.02Å; Y185-Y251 HydrophobicContact CG-CE2 4.44Å; Y185-Q252 VanDerWaalsContact CA-O 3.25Å; Y185-Q252 WeakPolarHBondContact CA-O 3.36Å; Y185-F282 HydrophobicContact CD2-CD2 4.31Å; Y185-F282 HydrophobicContact CD2-CE2 4.21Å; Y185-F282 HydrophobicContact CE2-CD2 4.05Å; Y185-F282 HydrophobicContact CE2-CE2 4.16Å; Y185-F283 VanDerWaalsContact O-CD2 3.24Å; Y185-F283 WeakPolarHBondContact O-CD2 3.46Å; Y185-G284 WeakPolarHBondContact CD1-O 3.38Å; Y185-G284 PolarHBondContact N-O 3.28Å; Y185-G284 PolarHBondContact O-N 3.2Å; Y185-G284 VanDerWaalsContact O-O 3.14Å; Y185-F286 HydrophobicContact CE1-CD1 4.33Å
186S98.8Very high94.1Very high0 Ų051.8 Ų51.80%025%0.246CC..EExtended strand (participates in β ladder)trans-148.9143.2171.2-178.90000111.3Q216 Y251 Q252 F282S186-Q216 VanDerWaalsContact C-NE2 3.34Å; S186-Q216 VanDerWaalsContact CB-NE2 3.34Å; S186-Q216 PolarHBondContact O-NE2 2.9Å; S186-Q216 VanDerWaalsContact O-NE2 3.09Å; S186-Q216 PolarHBondContact O-OE1 3.38Å; S186-Q216 PolarHBondContact OG-NE2 3.48Å; S186-Y251 WeakPolarHBondContact O-CA 3.48Å; S186-Q252 PolarHBondContact N-O 3.39Å; S186-Q252 PolarHBondContact O-N 2.97Å; S186-Q252 VanDerWaalsContact O-N 3.13Å; S186-F282 CarbonylContact C-O 3.54Å; S186-F282 VanDerWaalsContact CA-O 3.25Å; S186-F282 WeakPolarHBondContact CA-O 3.24Å; S186-F282 WeakPolarHBondContact CB-O 3.48Å; S186-F282 PolarHBondContact OG-O 3.45Å
187Q98.6Very high92.4Very high41 Ų4157.3 Ų57.319%0.19227%0.272CS..EExtended strand (participates in β ladder)trans-109.6135.9162.1-168.6166.8-87.100110.3I250 Y251 A280 S281 F282Q187-I250 CarbonylContact C-O 3.53Å; Q187-I250 VanDerWaalsContact CA-O 3.27Å; Q187-I250 WeakPolarHBondContact CA-O 3.44Å; Q187-Y251 HydrophobicContact CB-CD2 4.19Å; Q187-A280 PolarHBondContact NE2-O 2.04Å; Q187-S281 CarbonylContact O-C 3.59Å; Q187-S281 VanDerWaalsContact O-CA 3.32Å; Q187-S281 WeakPolarHBondContact O-CA 3.47Å; Q187-F282 HydrophobicContact CB-CD1 4.12Å; Q187-F282 HydrophobicContact CB-CD2 3.98Å; Q187-F282 HydrophobicContact CB-CE1 3.68Å; Q187-F282 HydrophobicContact CB-CE2 3.52Å; Q187-F282 HydrophobicContact CB-CG 4.26Å; Q187-F282 HydrophobicContact CB-CZ 3.35Å; Q187-F282 HydrophobicContact CG-CE1 4.3Å; Q187-F282 HydrophobicContact CG-CZ 4.18Å; Q187-F282 PolarHBondContact N-O 3.18Å; Q187-F282 PolarHBondContact O-N 2.89Å; Q187-F282 VanDerWaalsContact O-O 3.1Å
188T98.4Very high90.5Very high0 Ų060.3 Ų60.30%029%0.289CS..EExtended strand (participates in β ladder)trans-126.612817044.80000109.1I151 Q216 I250 V266 V268I151-T188 HydrophobicContact CD1-CG2 3.84Å; T188-Q216 HydrophobicContact CG2-CG 4.09Å; T188-Q216 WeakPolarHBondContact OG1-CG 3.49Å; T188-Q216 PolarHBondContact OG1-NE2 3.41Å; T188-Q216 VanDerWaalsContact OG1-NE2 3.11Å; T188-I250 PolarHBondContact N-O 3.14Å; T188-I250 PolarHBondContact O-N 2.99Å; T188-V266 HydrophobicContact CG2-CG1 4.21Å; T188-V268 HydrophobicContact CG2-CG1 3.86Å
189Y98.3Very high88.2Confident43 Ų4365.9 Ų65.917%0.16932%0.319CS..EExtended strand (participates in β ladder)trans-103.3109.2-179.2-176.4-141.4000110.7R191 L247 S249 I274 D275 A280 S281Y189-R191 HydrophobicContact CD1-CB 4.33Å; Y189-R191 HydrophobicContact CE1-CB 3.95Å; Y189-R191 HydrophobicContact CE1-CG 4.43Å; Y189-L247 HydrophobicContact CE2-CB 4.05Å; Y189-L247 WeakPolarHBondContact OH-CD2 3.21Å; Y189-S249 VanDerWaalsContact CD2-OG 3.23Å; Y189-S249 WeakPolarHBondContact CD2-OG 3.25Å; Y189-I274 WeakPolarHBondContact O-CA 3.44Å; Y189-D275 HydrophobicContact CD1-CB 3.63Å; Y189-D275 HydrophobicContact CE1-CB 4.34Å; Y189-D275 HydrophobicContact CG-CB 4.37Å; Y189-D275 PolarHBondContact O-N 3.4Å; Y189-A280 HydrophobicContact CD1-CB 3.72Å; Y189-A280 HydrophobicContact CG-CB 4.17Å; Y189-S281 PolarHBondContact N-OG 3.07Å
190F97.4Very high86.1Confident0 Ų065.5 Ų65.50%033%0.332CS..EExtended strand (participates in β ladder)trans-86.7116.8172.8-66.4-99.1000109M214 Y248 I250 V268 T269 N270 L273 I274F190-M214 HydrophobicContact CB-CG 4.19Å; F190-M214 HydrophobicContact CB-SD 3.53Å; F190-M214 VanDerWaalsContact CB-SD 3.53Å; F190-M214 HydrophobicContact CD1-CB 3.87Å; F190-M214 HydrophobicContact CD1-CG 3.51Å; F190-M214 HydrophobicContact CD1-SD 4.03Å; F190-M214 HydrophobicContact CD2-CB 4Å; F190-M214 HydrophobicContact CD2-CG 4.32Å; F190-M214 HydrophobicContact CD2-SD 4.43Å; F190-M214 HydrophobicContact CE1-CB 3.81Å; F190-M214 HydrophobicContact CE1-CG 3.86Å; F190-M214 HydrophobicContact CE2-CB 3.98Å; F190-M214 HydrophobicContact CG-CB 3.94Å; F190-M214 HydrophobicContact CG-CG 3.76Å; F190-M214 HydrophobicContact CG-SD 3.76Å; F190-M214 HydrophobicContact CZ-CB 3.87Å; F190-M214 HydrophobicContact CZ-CG 4.41Å; F190-Y248 PolarHBondContact N-O 3.1Å; F190-Y248 PolarHBondContact O-N 3.37Å; F190-I250 HydrophobicContact CD2-CD1 4.03Å; F190-I250 HydrophobicContact CD2-CG1 4.26Å; F190-I250 HydrophobicContact CE2-CD1 3.72Å; F190-I250 HydrophobicContact CE2-CG1 4.25Å; F190-V268 HydrophobicContact CZ-CB 4.16Å; F190-V268 HydrophobicContact CZ-CG1 4.3Å; F190-T269 VanDerWaalsContact CE1-O 3.25Å; F190-T269 WeakPolarHBondContact CE1-O 3.48Å; F190-N270 HydrophobicContact CE1-CB 4.5Å; F190-L273 CarbonylContact C-O 3.5Å; F190-L273 WeakPolarHBondContact CA-O 3.49Å; F190-L273 HydrophobicContact CD1-CB 4.39Å; F190-I274 HydrophobicContact CD1-CD1 3.59Å; F190-I274 HydrophobicContact CD2-CD1 3.78Å; F190-I274 HydrophobicContact CE1-CD1 3.45Å; F190-I274 VanDerWaalsContact CE1-CD1 3.45Å; F190-I274 HydrophobicContact CE1-CG1 4.36Å; F190-I274 HydrophobicContact CE2-CD1 3.62Å; F190-I274 HydrophobicContact CG-CD1 3.77Å; F190-I274 HydrophobicContact CZ-CD1 3.48Å; F190-I274 VanDerWaalsContact CZ-CD1 3.48Å
191R95.9Very high84Confident134 Ų13470 Ų7051%0.50636%0.358SS..EExtended strand (participates in β ladder)trans-132123.2178.6-178.6168.773.1890.1110.5Y189 G246 L247 L273 D275Y189-R191 HydrophobicContact CD1-CB 4.33Å; Y189-R191 HydrophobicContact CE1-CB 3.95Å; Y189-R191 HydrophobicContact CE1-CG 4.43Å; R191-G246 WeakPolarHBondContact CA-O 3.43Å; R191-L247 HydrophobicContact CB-CD2 4.4Å; R191-L247 HydrophobicContact CG-CD2 3.66Å; R191-L273 PolarHBondContact N-O 3.48Å; R191-D275 HydrophobicContact CB-CB 4.27Å; R191-D275 IonicContact CZ-OD2 3.91Å; R191-D275 IonicContact NE-OD2 3.35Å; R191-D275 PolarHBondContact NE-OD2 3.47Å; R191-D275 IonicContact NH2-OD2 2.81Å; R191-D275 PolarHBondContact NH2-OD2 2.68Å
192F93.3Very high81.6Confident17 Ų1772 Ų728%0.07538%0.378CS..EExtended strand (participates in β ladder)trans-152.4153.6178.357.2-91.9000111.7E194 K212 M214 Y245 G246 Y248 L273F192-E194 HydrophobicContact CD2-CG 4.43Å; F192-E194 HydrophobicContact CE2-CG 4.2Å; F192-E194 WeakPolarHBondContact CE2-OE1 3.46Å; F192-K212 HydrophobicContact CD1-CD 4.45Å; F192-K212 HydrophobicContact CD2-CD 4.23Å; F192-K212 HydrophobicContact CE1-CD 4.08Å; F192-K212 HydrophobicContact CE2-CD 3.88Å; F192-K212 HydrophobicContact CZ-CD 3.78Å; F192-M214 HydrophobicContact CE1-SD 3.9Å; F192-Y245 CarbonylContact O-C 3.55Å; F192-Y245 VanDerWaalsContact O-CA 3.29Å; F192-Y245 WeakPolarHBondContact O-CA 3.35Å; F192-Y245 VanDerWaalsContact O-CB 3.31Å; F192-Y245 WeakPolarHBondContact O-CB 3.49Å; F192-G246 PolarHBondContact N-O 2.91Å; F192-G246 VanDerWaalsContact N-O 3.1Å; F192-G246 PolarHBondContact O-N 3.36Å; F192-Y248 HydrophobicContact CE1-CD2 4.19Å; F192-Y248 HydrophobicContact CE1-CE2 4.26Å; F192-Y248 HydrophobicContact CZ-CD2 4.41Å; F192-Y248 HydrophobicContact CZ-CE2 4.02Å; F192-L273 HydrophobicContact CB-CB 4.48Å; F192-L273 HydrophobicContact CB-CD1 4.48Å; F192-L273 HydrophobicContact CB-CD2 3.92Å; F192-L273 HydrophobicContact CD1-CB 4.21Å; F192-L273 HydrophobicContact CD1-CD1 3.76Å; F192-L273 HydrophobicContact CD1-CG 4.42Å; F192-L273 HydrophobicContact CE1-CD1 4.27Å; F192-L273 HydrophobicContact CG-CD1 4.2Å; F192-L273 HydrophobicContact CG-CD2 4.48Å
193Q91.3Very high79.2Confident158 Ų15875.8 Ų75.874%0.73841%0.409SS*.EExtended strand (participates in β ladder)trans-97.8136.3166.4-167.1173.16.100108.2E244Q193-E244 WeakPolarHBondContact CG-O 3.2Å
194E85.6Confident76.8Confident16 Ų1677.1 Ų77.18%0.07542%0.423CS..PPolyproline II helixtrans-76.9137.7171.6-66.7-68.2179.500109F192 E196 K212 S243 E244F192-E194 HydrophobicContact CD2-CG 4.43Å; F192-E194 HydrophobicContact CE2-CG 4.2Å; F192-E194 WeakPolarHBondContact CE2-OE1 3.46Å; E194-E196 PolarHBondContact O-N 2.82Å; E194-K212 IonicContact OE1-NZ 3.76Å; E194-K212 PolarHBondContact OE1-NZ 3.27Å; E194-K212 IonicContact OE2-NZ 3.8Å; E194-K212 PolarHBondContact OE2-NZ 3.41Å; E194-S243 WeakPolarHBondContact CB-O 3.36Å; E194-S243 WeakPolarHBondContact CG-O 3.4Å; E194-E244 PolarHBondContact N-O 3.32Å
195P78.1Confident74.5Confident94 Ų9484.8 Ų84.861%0.6146%0.459SS*.PPolyproline II helixtrans-65.2135.5177.126.1-31.6000110.2E197P195-E197 PolarHBondContact O-N 3.23Å
196E66.7Low72.1Confident170 Ų17089.9 Ų89.979%0.79448%0.484SS*.PPolyproline II helixtrans-64132.6169.8-73.2-174.2175.700109.7E194 I198E194-E196 PolarHBondContact O-N 2.82Å; E196-I198 PolarHBondContact O-N 2.86Å
197E61.1Low69.8Low116 Ų11694.7 Ų94.754%0.54251%0.51SS..  trans-70.899.4173.1-71.1177.2-155.200108.2P195 L199 R209P195-E197 PolarHBondContact O-N 3.23Å; E197-L199 PolarHBondContact O-N 3.33Å; E197-R209 IonicContact OE1-CZ 3.51Å; E197-R209 IonicContact OE1-NE 2.69Å; E197-R209 PolarHBondContact OE1-NE 3.33Å; E197-R209 IonicContact OE1-NH2 2.88Å
198I56.6Low67.7Low139 Ų139101.6 Ų101.671%0.71353%0.534SS*.  trans-64.5108.9172.8-57.8175.8000107.8E196 G200E196-I198 PolarHBondContact O-N 2.86Å; I198-G200 PolarHBondContact O-N 3.08Å
199L48.6Very low65.9Low182 Ų182105.1 Ų105.195%0.95355%0.547SS*.THydrogen-bonded Turntrans-55.999.7169.8-92.2147000109.5E197E197-L199 PolarHBondContact O-N 3.33Å
200G51.9Low64.4Low74 Ų74109.4 Ų109.476%0.76357%0.566SS**THydrogen-bonded Turntrans154.2-23.5172.400000116I198I198-G200 PolarHBondContact O-N 3.08Å
201T50.9Low63.8Low102 Ų102112.8 Ų112.863%0.62659%0.585SS**SBendtrans-91.7119.8173.242.90000109.8A203T201-A203 PolarHBondContact O-N 3.05Å
202V47.2Very low63.5Low133 Ų133108.4 Ų108.481%0.80657%0.569SS**  trans-42.6111171.2178.80000108.2T204V202-T204 VanDerWaalsContact C-N 3.28Å; V202-T204 PolarHBondContact O-N 3.37Å
203A47.7Very low63.6Low79 Ų79114.3 Ų114.365%0.65360%0.597SS**  trans-65.892.9177.500000107.9T201T201-A203 PolarHBondContact O-N 3.05Å
204T48.6Very low63.9Low85 Ų85106.8 Ų106.852%0.52156%0.562SS.*  trans-53.8144.4158.533.60000107.6V202 E206 N207V202-T204 VanDerWaalsContact C-N 3.28Å; V202-T204 PolarHBondContact O-N 3.37Å; T204-E206 PolarHBondContact O-N 3.02Å; T204-N207 PolarHBondContact O-N 3.16Å
205E50.3Low64.5Low162 Ų162106.6 Ų106.676%0.75756%0.562SS**G310 helixtrans-53.3-16.2-175.5-66.2-159.5134.900114.2
206E49.3Very low65.4Low143 Ų143102.1 Ų102.167%0.66853%0.533SS*.G310 helixtrans-66.5-24.8172.4-107.3-177.2154.600115.8T204 K210T204-E206 PolarHBondContact O-N 3.02Å; E206-K210 WeakPolarHBondContact O-CE 2.86Å
207N49.2Very low67Low101 Ų10195.3 Ų95.354%0.5450%0.5SS..G310 helixtrans-89.36.2-175.4-84.2-11.5000114.6T204 R209T204-N207 PolarHBondContact O-N 3.16Å; N207-R209 PolarHBondContact O-N 3.45Å
208R55Low68.8Low186 Ų18689.8 Ų89.870%0.70247%0.474SS*.SBendtrans-64.1119.4165.5-79.3-178.9163.3141.8-2.6108K210R208-K210 VanDerWaalsContact O-CG 3.27Å; R208-K210 WeakPolarHBondContact O-CG 3.26Å; R208-K210 PolarHBondContact O-N 3.37Å
209R61Low70.8Confident73 Ų7383.6 Ų83.628%0.27544%0.442SS..  trans-41.8103172.9-64.2-178.2-170-1522.6109.4E197 N207 N211 K241 S243E197-R209 IonicContact OE1-CZ 3.51Å; E197-R209 IonicContact OE1-NE 2.69Å; E197-R209 PolarHBondContact OE1-NE 3.33Å; E197-R209 IonicContact OE1-NH2 2.88Å; N207-R209 PolarHBondContact O-N 3.45Å; R209-N211 PolarHBondContact O-N 2.85Å; R209-K241 PolarHBondContact NH1-O 3Å; R209-K241 PolarHBondContact NH2-O 3.48Å; R209-S243 PolarHBondContact NH1-O 2.86Å
210K67.9Low73.1Confident133 Ų13376.7 Ų76.758%0.57840%0.404SS*.PPolyproline II helixtrans-76.5124-173.8-64.3-176.2-176.6171.50107.4E206 R208 K212E206-K210 WeakPolarHBondContact O-CE 2.86Å; R208-K210 VanDerWaalsContact O-CG 3.27Å; R208-K210 WeakPolarHBondContact O-CG 3.26Å; R208-K210 PolarHBondContact O-N 3.37Å; K210-K212 WeakPolarHBondContact O-CG 3.39Å; K210-K212 PolarHBondContact O-N 2.84Å; K210-K212 VanDerWaalsContact O-N 3.12Å
211N83.3Confident75.2Confident71 Ų7173.9 Ų73.938%0.3837%0.373SS..PPolyproline II helixtrans-50.9120170.3-74.1-28.3000109R209 W239R209-N211 PolarHBondContact O-N 2.85Å; N211-W239 VanDerWaalsContact ND2-CD2 3.25Å; N211-W239 VanDerWaalsContact ND2-CE2 3.33Å
212K91.1Very high77.3Confident43 Ų4370.7 Ų70.719%0.18735%0.353CS..PPolyproline II helixtrans-89.1120.2-177.6-59.5176.5-178.362.60108.4F192 E194 K210 N236 S237 L273F192-K212 HydrophobicContact CD1-CD 4.45Å; F192-K212 HydrophobicContact CD2-CD 4.23Å; F192-K212 HydrophobicContact CE1-CD 4.08Å; F192-K212 HydrophobicContact CE2-CD 3.88Å; F192-K212 HydrophobicContact CZ-CD 3.78Å; E194-K212 IonicContact OE1-NZ 3.76Å; E194-K212 PolarHBondContact OE1-NZ 3.27Å; E194-K212 IonicContact OE2-NZ 3.8Å; E194-K212 PolarHBondContact OE2-NZ 3.41Å; K210-K212 WeakPolarHBondContact O-CG 3.39Å; K210-K212 PolarHBondContact O-N 2.84Å; K210-K212 VanDerWaalsContact O-N 3.12Å; K212-N236 CarbonylContact O-C 3.6Å; K212-N236 WeakPolarHBondContact O-CA 3.47Å; K212-S237 PolarHBondContact N-OG 3.13Å; K212-S237 PolarHBondContact O-N 3.49Å; K212-L273 HydrophobicContact CD-CD1 3.77Å
213Q94.4Very high79.3Confident141 Ų14172.4 Ų72.466%0.65936%0.358SS*.EExtended strand (participates in β ladder)trans-86.3114.4169.9-65-177.8-2.400108.5T269 N270Q213-T269 WeakPolarHBondContact O-CB 3.41Å; Q213-T269 PolarHBondContact O-OG1 2.97Å; Q213-N270 PolarHBondContact O-ND2 3.46Å
214M96.7Very high81.2Confident0 Ų075.3 Ų75.30%035%0.353CS..EExtended strand (participates in β ladder)trans-104.3109.8178.3-64.3165.4-67.300107.1F190 F192 A234 R235 Y248 I250 T269F190-M214 HydrophobicContact CB-CG 4.19Å; F190-M214 HydrophobicContact CB-SD 3.53Å; F190-M214 VanDerWaalsContact CB-SD 3.53Å; F190-M214 HydrophobicContact CD1-CB 3.87Å; F190-M214 HydrophobicContact CD1-CG 3.51Å; F190-M214 HydrophobicContact CD1-SD 4.03Å; F190-M214 HydrophobicContact CD2-CB 4Å; F190-M214 HydrophobicContact CD2-CG 4.32Å; F190-M214 HydrophobicContact CD2-SD 4.43Å; F190-M214 HydrophobicContact CE1-CB 3.81Å; F190-M214 HydrophobicContact CE1-CG 3.86Å; F190-M214 HydrophobicContact CE2-CB 3.98Å; F190-M214 HydrophobicContact CG-CB 3.94Å; F190-M214 HydrophobicContact CG-CG 3.76Å; F190-M214 HydrophobicContact CG-SD 3.76Å; F190-M214 HydrophobicContact CZ-CB 3.87Å; F190-M214 HydrophobicContact CZ-CG 4.41Å; F192-M214 HydrophobicContact CE1-SD 3.9Å; M214-A234 CarbonylContact O-C 3.58Å; M214-A234 WeakPolarHBondContact O-CA 3.38Å; M214-R235 HydrophobicContact CE-CB 3.96Å; M214-R235 PolarHBondContact N-O 2.97Å; M214-R235 PolarHBondContact O-N 3.34Å; M214-Y248 HydrophobicContact CE-CD1 3.76Å; M214-Y248 HydrophobicContact CE-CD2 3.41Å; M214-Y248 VanDerWaalsContact CE-CD2 3.41Å; M214-Y248 HydrophobicContact CE-CE1 4.08Å; M214-Y248 HydrophobicContact CE-CE2 3.75Å; M214-Y248 HydrophobicContact CE-CG 3.42Å; M214-Y248 VanDerWaalsContact CE-CG 3.42Å; M214-Y248 HydrophobicContact SD-CD2 3.5Å; M214-Y248 VanDerWaalsContact SD-CD2 3.5Å; M214-Y248 HydrophobicContact SD-CE2 4.22Å; M214-Y248 HydrophobicContact SD-CG 3.77Å; M214-I250 HydrophobicContact CB-CD1 4Å; M214-I250 WeakPolarHBondContact O-CD1 3.43Å; M214-T269 WeakPolarHBondContact CA-OG1 3.34Å
215V98.3Very high83.1Confident11 Ų1176.7 Ų76.77%0.06736%0.363CS..EExtended strand (participates in β ladder)trans-128.6128.2-176-166.40000108.5Y217 S233 A234 V268 T269V215-Y217 HydrophobicContact CB-CE2 3.79Å; V215-Y217 HydrophobicContact CG1-CD1 4.19Å; V215-Y217 HydrophobicContact CG1-CD2 4.26Å; V215-Y217 HydrophobicContact CG1-CE1 3.58Å; V215-Y217 HydrophobicContact CG1-CE2 3.66Å; V215-Y217 HydrophobicContact CG1-CG 4.49Å; V215-Y217 WeakPolarHBondContact CG1-OH 3.37Å; V215-S233 WeakPolarHBondContact CA-O 3.4Å; V215-A234 HydrophobicContact CB-CB 4.47Å; V215-A234 HydrophobicContact CG1-CB 4.12Å; V215-A234 HydrophobicContact CG2-CB 3.95Å; V215-V268 CarbonylContact O-C 3.53Å; V215-V268 VanDerWaalsContact O-CA 3.24Å; V215-V268 WeakPolarHBondContact O-CA 3.42Å; V215-T269 HydrophobicContact CB-CG2 4.06Å; V215-T269 HydrophobicContact CG2-CG2 4.18Å; V215-T269 PolarHBondContact N-OG1 3.36Å; V215-T269 PolarHBondContact O-N 3.4Å
216Q98.7Very high85.1Confident0 Ų070.9 Ų70.90%034%0.338CS..EExtended strand (participates in β ladder)trans-105127.8172.1-175.4-164.549.600108.3S186 T188 K232 S233 I250 Q252 V266 V268S186-Q216 VanDerWaalsContact C-NE2 3.34Å; S186-Q216 VanDerWaalsContact CB-NE2 3.34Å; S186-Q216 PolarHBondContact O-NE2 2.9Å; S186-Q216 VanDerWaalsContact O-NE2 3.09Å; S186-Q216 PolarHBondContact O-OE1 3.38Å; S186-Q216 PolarHBondContact OG-NE2 3.48Å; T188-Q216 HydrophobicContact CG2-CG 4.09Å; T188-Q216 WeakPolarHBondContact OG1-CG 3.49Å; T188-Q216 PolarHBondContact OG1-NE2 3.41Å; T188-Q216 VanDerWaalsContact OG1-NE2 3.11Å; Q216-K232 CarbonylContact O-C 3.58Å; Q216-K232 VanDerWaalsContact O-CA 3.27Å; Q216-K232 WeakPolarHBondContact O-CA 3.36Å; Q216-S233 PolarHBondContact N-O 2.99Å; Q216-S233 PolarHBondContact O-N 2.95Å; Q216-I250 HydrophobicContact CB-CG2 3.99Å; Q216-I250 PolarHBondContact NE2-O 3.03Å; Q216-I250 PolarHBondContact OE1-O 2.9Å; Q216-Q252 PolarHBondContact O-NE2 2.71Å; Q216-V266 HydrophobicContact CG-CG1 3.93Å; Q216-V268 HydrophobicContact CB-CG1 4.46Å; Q216-V268 HydrophobicContact CG-CG1 4.39Å
217Y98.6Very high87.2Confident27 Ų2765.2 Ų65.211%0.10631%0.313CS..EExtended strand (participates in β ladder)trans-116.7140.5177.5-53.9-85.7000109.6L147 V215 Y219 L229 M231 K232 V266 S267 T269L147-Y217 HydrophobicContact CB-CD2 4.39Å; L147-Y217 HydrophobicContact CB-CE1 4.1Å; L147-Y217 HydrophobicContact CB-CE2 3.96Å; L147-Y217 HydrophobicContact CD1-CE1 3.97Å; V215-Y217 HydrophobicContact CB-CE2 3.79Å; V215-Y217 HydrophobicContact CG1-CD1 4.19Å; V215-Y217 HydrophobicContact CG1-CD2 4.26Å; V215-Y217 HydrophobicContact CG1-CE1 3.58Å; V215-Y217 HydrophobicContact CG1-CE2 3.66Å; V215-Y217 HydrophobicContact CG1-CG 4.49Å; V215-Y217 WeakPolarHBondContact CG1-OH 3.37Å; Y217-Y219 VanDerWaalsContact CB-CE2 3.43Å; Y217-Y219 HydrophobicContact CG-CE2 4.03Å; Y217-L229 HydrophobicContact CD1-CD1 3.84Å; Y217-L229 HydrophobicContact CD1-CD2 4.46Å; Y217-L229 HydrophobicContact CG-CD1 4.33Å; Y217-M231 WeakPolarHBondContact CA-O 3Å; Y217-K232 HydrophobicContact CD1-CB 3.75Å; Y217-K232 HydrophobicContact CE1-CB 4.09Å; Y217-K232 HydrophobicContact CE1-CD 4.44Å; Y217-V266 WeakPolarHBondContact O-CA 3.35Å; Y217-S267 WeakPolarHBondContact CD2-O 3.36Å; Y217-S267 PolarHBondContact N-O 3.4Å; Y217-S267 PolarHBondContact O-N 3.23Å; Y217-T269 HydrophobicContact CE2-CG2 4.21Å
218I98.7Very high89.5Confident0 Ų063.7 Ų63.70%030%0.304CS..EExtended strand (participates in β ladder)trans-116.2121.7169.9-61.7176.3000107.4I184 L230 M231 Q252 F265 V266I184-I218 HydrophobicContact CG2-CD1 4.49Å; I184-I218 HydrophobicContact CG2-CG2 3.94Å; I218-L230 HydrophobicContact CG2-CD1 4.41Å; I218-L230 WeakPolarHBondContact O-CB 3.19Å; I218-L230 PolarHBondContact O-N 3.4Å; I218-M231 HydrophobicContact CB-CB 4.41Å; I218-M231 HydrophobicContact CB-CE 4.12Å; I218-M231 HydrophobicContact CD1-CE 3.55Å; I218-M231 HydrophobicContact CG1-CE 4.39Å; I218-M231 HydrophobicContact CG2-CE 4.05Å; I218-M231 PolarHBondContact N-O 2.99Å; I218-M231 PolarHBondContact O-N 2.87Å; I218-Q252 HydrophobicContact CD1-CG 3.79Å; I218-F265 WeakPolarHBondContact CA-O 3.39Å; I218-V266 HydrophobicContact CG1-CG2 4.44Å
219Y98.5Very high91.5Very high10 Ų1058.2 Ų58.24%0.03929%0.289CS..EExtended strand (participates in β ladder)trans-113.8156.7-176.4-80.1-86.4000111.6A146 L147 Y217 P227 I228 L229 I264 F265A146-Y219 HydrophobicContact CB-CD1 4.45Å; A146-Y219 HydrophobicContact CB-CD2 4.22Å; A146-Y219 HydrophobicContact CB-CE1 4.16Å; A146-Y219 HydrophobicContact CB-CE2 3.9Å; A146-Y219 HydrophobicContact CB-CG 4.49Å; L147-Y219 WeakPolarHBondContact CB-OH 3.5Å; L147-Y219 PolarHBondContact N-OH 2.98Å; Y217-Y219 VanDerWaalsContact CB-CE2 3.43Å; Y217-Y219 HydrophobicContact CG-CE2 4.03Å; Y219-P227 HydrophobicContact CD1-CB 3.85Å; Y219-P227 HydrophobicContact CD1-CG 4.44Å; Y219-P227 HydrophobicContact CG-CB 4.41Å; Y219-I228 CarbonylContact C-O 3.6Å; Y219-I228 WeakPolarHBondContact CA-O 3.26Å; Y219-L229 HydrophobicContact CD1-CB 4.1Å; Y219-L229 HydrophobicContact CD1-CD1 4.34Å; Y219-L229 HydrophobicContact CD2-CD1 4.25Å; Y219-L229 HydrophobicContact CE1-CB 3.66Å; Y219-L229 HydrophobicContact CE1-CD1 3.97Å; Y219-L229 HydrophobicContact CE1-CG 4.41Å; Y219-L229 HydrophobicContact CE2-CD1 3.89Å; Y219-L229 HydrophobicContact CG-CD1 4.46Å; Y219-I264 VanDerWaalsContact O-CA 3.24Å; Y219-I264 WeakPolarHBondContact O-CA 3.31Å; Y219-F265 VanDerWaalsContact CB-CE1 3.48Å; Y219-F265 AromaticContact CD2-CE2 3.83Å; Y219-F265 HydrophobicContact CD2-CE2 3.83Å; Y219-F265 HydrophobicContact CD2-CZ 4.15Å; Y219-F265 HydrophobicContact CG-CE1 4.42Å; Y219-F265 AromaticContact CG-CE2 3.93Å; Y219-F265 HydrophobicContact CG-CE2 3.93Å; Y219-F265 AromaticContact CG-CZ 3.77Å; Y219-F265 HydrophobicContact CG-CZ 3.77Å; Y219-F265 PolarHBondContact N-O 3Å; Y219-F265 PolarHBondContact O-N 3.34Å; Y219-F265 VanDerWaalsContact O-N 3.07Å
220K97.8Very high93.3Very high36 Ų3656.2 Ų56.216%0.15728%0.283CS..EExtended strand (participates in β ladder)trans-119.9128.8168.5-178.5169.581.8161.30110.2I228 L230 E257 L258 D262 R263 I264K220-I228 PolarHBondContact N-O 3.16Å; K220-I228 PolarHBondContact O-N 3.45Å; K220-L230 HydrophobicContact CB-CD1 3.94Å; K220-L230 HydrophobicContact CB-CD2 3.86Å; K220-L230 HydrophobicContact CB-CG 3.89Å; K220-L230 HydrophobicContact CD-CD2 4.47Å; K220-E257 PolarHBondContact NZ-O 3.36Å; K220-L258 HydrophobicContact CD-CD2 3.36Å; K220-L258 HydrophobicContact CG-CD2 4.27Å; K220-D262 HydrophobicContact CD-CB 4.39Å; K220-D262 WeakPolarHBondContact CD-OD2 3.48Å; K220-D262 HydrophobicContact CG-CB 4.45Å; K220-D262 IonicContact NZ-OD2 2.69Å; K220-R263 CarbonylContact C-O 3.5Å; K220-R263 WeakPolarHBondContact CA-O 3.27Å; K220-I264 HydrophobicContact CB-CG2 4.37Å; K220-I264 HydrophobicContact CG-CG2 4.42Å
221S96.1Very high94.8Very high15 Ų1551 Ų5111%0.10526%0.261CS..EExtended strand (participates in β ladder)trans-104.1133.2163.6-65.30000109.2R263S221-R263 PolarHBondContact N-O 3.46Å; S221-R263 PolarHBondContact O-N 3.49Å
222T94.1Very high95.5Very high36 Ų3654.8 Ų54.822%0.22127%0.274CS..  trans-133.1-160.4177.8-168.90000107.6Y224 I228 D262T222-Y224 PolarHBondContact O-N 2.96Å; T222-Y224 VanDerWaalsContact O-N 3.07Å; T222-I228 HydrophobicContact CG2-CD1 3.99Å; T222-D262 WeakPolarHBondContact CB-OD1 3.32Å; T222-D262 PolarHBondContact OG1-OD1 3.49Å
223D89.8Confident95.8Very high168 Ų16854.3 Ų54.390%0.89828%0.276SS*.SBendtrans-67.6-2.5173.6-63.2-32.6000113.4
224Y88.7Confident96Very high140 Ų14050.7 Ų50.755%0.54927%0.271SS..SBendtrans-78.7136.9173.4-166.4-105.4000110.9T222 D226 I228T222-Y224 PolarHBondContact O-N 2.96Å; T222-Y224 VanDerWaalsContact O-N 3.07Å; Y224-D226 VanDerWaalsContact C-N 3.28Å; Y224-D226 HydrophobicContact CD1-CB 4.11Å; Y224-D226 WeakPolarHBondContact CD1-O 2.99Å; Y224-D226 HydrophobicContact CE1-CB 3.89Å; Y224-D226 PolarHBondContact O-N 3.45Å; Y224-I228 HydrophobicContact CD1-CG1 4.49Å
225P87.5Confident96Very high114 Ų11458.1 Ų58.174%0.7430%0.298SS*.SBendtrans-59.3-32.5-174.3-27.234.9000115.3
226D91.7Very high95.8Very high41 Ų4161.9 Ų61.922%0.21932%0.318CS..SBendtrans-104.1144.2-176.8-59.1-42.6000111.8K145 Y224 I228K145-D226 HydrophobicContact CD-CB 4.41Å; K145-D226 WeakPolarHBondContact CD-OD1 3.37Å; K145-D226 WeakPolarHBondContact CE-OD1 3.16Å; K145-D226 IonicContact NZ-OD1 2.66Å; K145-D226 PolarHBondContact NZ-OD1 3.4Å; K145-D226 IonicContact NZ-OD2 3.55Å; K145-D226 PolarHBondContact NZ-OD2 2.88Å; Y224-D226 VanDerWaalsContact C-N 3.28Å; Y224-D226 HydrophobicContact CD1-CB 4.11Å; Y224-D226 WeakPolarHBondContact CD1-O 2.99Å; Y224-D226 HydrophobicContact CE1-CB 3.89Å; Y224-D226 PolarHBondContact O-N 3.45Å; D226-I228 PolarHBondContact O-N 3.29Å
227P94.9Very high95.6Very high23 Ų2362 Ų6215%0.14932%0.319CS..PPolyproline II helixtrans-66.4133.517327.9-33.1000111A146 Y219 F265A146-P227 HydrophobicContact CB-CG 3.82Å; Y219-P227 HydrophobicContact CD1-CB 3.85Å; Y219-P227 HydrophobicContact CD1-CG 4.44Å; Y219-P227 HydrophobicContact CG-CB 4.41Å; P227-F265 HydrophobicContact CB-CE1 4.13Å; P227-F265 HydrophobicContact CB-CZ 3.86Å
228I96.6Very high95.1Very high70 Ų7063.7 Ų63.736%0.35933%0.334SS..EExtended strand (participates in β ladder)trans-94.1121.4-178.3-56.5170.9000108.8Y219 K220 T222 Y224 D226 L230Y219-I228 CarbonylContact C-O 3.6Å; Y219-I228 WeakPolarHBondContact CA-O 3.26Å; K220-I228 PolarHBondContact N-O 3.16Å; K220-I228 PolarHBondContact O-N 3.45Å; T222-I228 HydrophobicContact CG2-CD1 3.99Å; Y224-I228 HydrophobicContact CD1-CG1 4.49Å; D226-I228 PolarHBondContact O-N 3.29Å; I228-L230 PolarHBondContact O-N 2.97Å
229L97.9Very high94.6Very high71 Ų7172.3 Ų72.337%0.37237%0.367SS..EExtended strand (participates in β ladder)trans-70.6123176.3-179.266.1000110Y217 Y219 M231 K232Y217-L229 HydrophobicContact CD1-CD1 3.84Å; Y217-L229 HydrophobicContact CD1-CD2 4.46Å; Y217-L229 HydrophobicContact CG-CD1 4.33Å; Y219-L229 HydrophobicContact CD1-CB 4.1Å; Y219-L229 HydrophobicContact CD1-CD1 4.34Å; Y219-L229 HydrophobicContact CD2-CD1 4.25Å; Y219-L229 HydrophobicContact CE1-CB 3.66Å; Y219-L229 HydrophobicContact CE1-CD1 3.97Å; Y219-L229 HydrophobicContact CE1-CG 4.41Å; Y219-L229 HydrophobicContact CE2-CD1 3.89Å; Y219-L229 HydrophobicContact CG-CD1 4.46Å; L229-M231 VanDerWaalsContact CD1-O 3.3Å; L229-M231 WeakPolarHBondContact CD1-O 3.45Å; L229-K232 HydrophobicContact CD2-CD 4.48Å
230L98.3Very high94Very high30 Ų3074.2 Ų74.216%0.15738%0.382CS..EExtended strand (participates in β ladder)trans-91.9-49.1175.1-59.8-175.3000111.5I184 I218 K220 I228 F256 I264I184-L230 HydrophobicContact CD1-CD1 3.69Å; I218-L230 HydrophobicContact CG2-CD1 4.41Å; I218-L230 WeakPolarHBondContact O-CB 3.19Å; I218-L230 PolarHBondContact O-N 3.4Å; K220-L230 HydrophobicContact CB-CD1 3.94Å; K220-L230 HydrophobicContact CB-CD2 3.86Å; K220-L230 HydrophobicContact CB-CG 3.89Å; K220-L230 HydrophobicContact CD-CD2 4.47Å; I228-L230 PolarHBondContact O-N 2.97Å; L230-F256 HydrophobicContact CB-CD1 4.23Å; L230-F256 HydrophobicContact CB-CD2 4.44Å; L230-F256 HydrophobicContact CB-CE1 3.86Å; L230-F256 HydrophobicContact CB-CE2 4.14Å; L230-F256 HydrophobicContact CB-CG 4.5Å; L230-F256 HydrophobicContact CB-CZ 3.82Å; L230-F256 HydrophobicContact CD1-CB 4.4Å; L230-F256 HydrophobicContact CD1-CD1 4.33Å; L230-F256 HydrophobicContact CD1-CD2 4.18Å; L230-F256 HydrophobicContact CD1-CG 4.02Å; L230-F256 HydrophobicContact CD2-CD1 3.75Å; L230-F256 HydrophobicContact CD2-CE1 4.04Å; L230-F256 HydrophobicContact CD2-CG 4.26Å; L230-F256 HydrophobicContact CG-CD1 4.33Å; L230-F256 HydrophobicContact CG-CE1 4.43Å; L230-F256 WeakPolarHBondContact O-CZ 3.26Å; L230-I264 HydrophobicContact CD1-CG2 4.4Å
231M98.6Very high93.2Very high25 Ų2579.7 Ų79.712%0.12341%0.406CS..EExtended strand (participates in β ladder)trans-145.9150.6-175-59.4176.8-85.400111.4I184 Y217 I218 L229 Q252 G253 G254 F256I184-M231 HydrophobicContact CB-CE 4.09Å; I184-M231 HydrophobicContact CG2-CE 4.3Å; Y217-M231 WeakPolarHBondContact CA-O 3Å; I218-M231 HydrophobicContact CB-CB 4.41Å; I218-M231 HydrophobicContact CB-CE 4.12Å; I218-M231 HydrophobicContact CD1-CE 3.55Å; I218-M231 HydrophobicContact CG1-CE 4.39Å; I218-M231 HydrophobicContact CG2-CE 4.05Å; I218-M231 PolarHBondContact N-O 2.99Å; I218-M231 PolarHBondContact O-N 2.87Å; L229-M231 VanDerWaalsContact CD1-O 3.3Å; L229-M231 WeakPolarHBondContact CD1-O 3.45Å; M231-Q252 VanDerWaalsContact CB-OE1 3.24Å; M231-G253 VanDerWaalsContact SD-C 3.51Å; M231-G254 PolarHBondContact SD-N 3.43Å; M231-G254 VanDerWaalsContact SD-N 3.44Å; M231-F256 HydrophobicContact CE-CD2 4.25Å; M231-F256 HydrophobicContact CE-CE2 3.59Å; M231-F256 HydrophobicContact CE-CZ 4.44Å; M231-F256 HydrophobicContact CG-CE2 3.6Å; M231-F256 HydrophobicContact CG-CZ 3.52Å; M231-F256 HydrophobicContact SD-CE2 3.64Å; M231-F256 HydrophobicContact SD-CZ 4.16Å
232K98.3Very high92.6Very high150 Ų15085.7 Ų85.765%0.65244%0.436SS*.EExtended strand (participates in β ladder)trans-138.8142.4168.773.7-178.4-176.9-177.10111Q216 Y217 L229Q216-K232 CarbonylContact O-C 3.58Å; Q216-K232 VanDerWaalsContact O-CA 3.27Å; Q216-K232 WeakPolarHBondContact O-CA 3.36Å; Y217-K232 HydrophobicContact CD1-CB 3.75Å; Y217-K232 HydrophobicContact CE1-CB 4.09Å; Y217-K232 HydrophobicContact CE1-CD 4.44Å; L229-K232 HydrophobicContact CD2-CD 4.48Å
233S98.4Very high92.2Very high33 Ų3385 Ų8523%0.23143%0.433CS..EExtended strand (participates in β ladder)trans-135135.3172.3-176.10000109.2V215 Q216 I250V215-S233 WeakPolarHBondContact CA-O 3.4Å; Q216-S233 PolarHBondContact N-O 2.99Å; Q216-S233 PolarHBondContact O-N 2.95Å; S233-I250 WeakPolarHBondContact OG-CG2 3.32Å
234A97.6Very high92.1Very high65 Ų6583.8 Ų83.854%0.53742%0.422SS..EExtended strand (participates in β ladder)trans-132143.8-169.600000112.2M214 V215M214-A234 CarbonylContact O-C 3.58Å; M214-A234 WeakPolarHBondContact O-CA 3.38Å; V215-A234 HydrophobicContact CB-CB 4.47Å; V215-A234 HydrophobicContact CG1-CB 4.12Å; V215-A234 HydrophobicContact CG2-CB 3.95Å
235R96.7Very high92.3Very high155 Ų15583.6 Ų83.659%0.58542%0.421SS*.EExtended strand (participates in β ladder)trans-134.6156.7170.5-64.6-65.3-173.6172.50.1109.6M214 Y248 I250M214-R235 HydrophobicContact CE-CB 3.96Å; M214-R235 PolarHBondContact N-O 2.97Å; M214-R235 PolarHBondContact O-N 3.34Å; R235-Y248 HydrophobicContact CB-CD1 4.5Å; R235-I250 HydrophobicContact CB-CD1 4.05Å; R235-I250 HydrophobicContact CG-CD1 3.84Å; R235-I250 HydrophobicContact CG-CG1 3.91Å
236N94.5Very high92.6Very high91 Ų9178.2 Ų78.249%0.48739%0.387SS..EExtended strand (participates in β ladder)trans-113.4150.4168.558.325.8000109.6K212K212-N236 CarbonylContact O-C 3.6Å; K212-N236 WeakPolarHBondContact O-CA 3.47Å
237S93.5Very high92.8Very high3 Ų380.5 Ų80.52%0.02140%0.398CS..  trans-65.6158.7170.562.20000110.6K212 Y248K212-S237 PolarHBondContact N-OG 3.13Å; K212-S237 PolarHBondContact O-N 3.49Å; S237-Y248 WeakPolarHBondContact CA-OH 3.4Å
238C90.1Very high92.9Very high61 Ų6181.8 Ų81.841%0.41240%0.401SS..  trans-56.2140.1168.9-172.10000110.1S240 Y248C238-S240 VanDerWaalsContact C-N 3.33Å; C238-S240 PolarHBondContact SG-N 3.47Å; C238-Y248 PolarHBondContact N-OH 3.41Å
239W87.8Confident93Very high181 Ų18181.6 Ų81.669%0.68641%0.406SS*.  trans-90.2-6.8-177.6-63.437.2000111.3N211N211-W239 VanDerWaalsContact ND2-CD2 3.25Å; N211-W239 VanDerWaalsContact ND2-CE2 3.33Å
240S85.1Confident93.1Very high51 Ų5178.3 Ų78.336%0.35739%0.388SS..  trans-68136.6179.9-175.20000110.9C238 D242 S243C238-S240 VanDerWaalsContact C-N 3.33Å; C238-S240 PolarHBondContact SG-N 3.47Å; S240-D242 PolarHBondContact O-N 3.36Å; S240-D242 PolarHBondContact OG-N 3.03Å; S240-D242 VanDerWaalsContact OG-N 3.09Å; S240-S243 WeakPolarHBondContact O-CB 3.24Å; S240-S243 PolarHBondContact O-N 2.82Å
241K80.8Confident93.1Very high151 Ų15182.1 Ų82.166%0.65740%0.401SS*.THydrogen-bonded Turntrans-70.2-13.3170.2-63.4-176180-176.50112.8R209 S243R209-K241 PolarHBondContact NH1-O 3Å; R209-K241 PolarHBondContact NH2-O 3.48Å; K241-S243 VanDerWaalsContact C-N 3.29Å
242D83.7Confident93.1Very high141 Ų14181.9 Ų81.975%0.75440%0.4SS*.THydrogen-bonded Turntrans-90.82.5177-50.1-39.8000111.7S240 E244S240-D242 PolarHBondContact O-N 3.36Å; S240-D242 PolarHBondContact OG-N 3.03Å; S240-D242 VanDerWaalsContact OG-N 3.09Å; D242-E244 PolarHBondContact O-N 3Å
243S85Confident93.1Very high21 Ų2176.2 Ų76.215%0.14738%0.384CS..  trans-71.6111.3176.9-164.50000109.8E194 R209 S240 K241 Y245E194-S243 WeakPolarHBondContact CB-O 3.36Å; E194-S243 WeakPolarHBondContact CG-O 3.4Å; R209-S243 PolarHBondContact NH1-O 2.86Å; S240-S243 WeakPolarHBondContact O-CB 3.24Å; S240-S243 PolarHBondContact O-N 2.82Å; K241-S243 VanDerWaalsContact C-N 3.29Å; S243-Y245 PolarHBondContact OG-O 2.95Å
244E88.9Confident93.1Very high142 Ų14275.5 Ų75.566%0.66438%0.382SS*.  trans-83.7-29.5178.9-66.5176.2-171.700113Q193 E194 D242Q193-E244 WeakPolarHBondContact CG-O 3.2Å; E194-E244 PolarHBondContact N-O 3.32Å; D242-E244 PolarHBondContact O-N 3Å
245Y91.8Very high93.1Very high136 Ų13677.2 Ų77.253%0.53338%0.381SS..EExtended strand (participates in β ladder)trans-153.1170.2-178.862.6-92.2000110.9F192 S243 L247F192-Y245 CarbonylContact O-C 3.55Å; F192-Y245 VanDerWaalsContact O-CA 3.29Å; F192-Y245 WeakPolarHBondContact O-CA 3.35Å; F192-Y245 VanDerWaalsContact O-CB 3.31Å; F192-Y245 WeakPolarHBondContact O-CB 3.49Å; S243-Y245 PolarHBondContact OG-O 2.95Å; Y245-L247 HydrophobicContact CD2-CD1 4.19Å; Y245-L247 HydrophobicContact CD2-CD2 3.97Å; Y245-L247 HydrophobicContact CD2-CG 3.75Å; Y245-L247 HydrophobicContact CE2-CD1 3.76Å; Y245-L247 HydrophobicContact CE2-CD2 4.38Å; Y245-L247 HydrophobicContact CE2-CG 3.79Å
246G93.7Very high93.2Very high2 Ų272.4 Ų72.42%0.02136%0.364CS..EExtended strand (participates in β ladder)trans-136.7127.8177.400000111.7R191 F192R191-G246 WeakPolarHBondContact CA-O 3.43Å; F192-G246 PolarHBondContact N-O 2.91Å; F192-G246 VanDerWaalsContact N-O 3.1Å; F192-G246 PolarHBondContact O-N 3.36Å
247L96.9Very high93.3Very high88 Ų8873.2 Ų73.246%0.46137%0.365SS..EExtended strand (participates in β ladder)trans-124.1109.9176.4-48.7-179.7000108.5Y189 R191 Y245Y189-L247 HydrophobicContact CE2-CB 4.05Å; Y189-L247 WeakPolarHBondContact OH-CD2 3.21Å; R191-L247 HydrophobicContact CB-CD2 4.4Å; R191-L247 HydrophobicContact CG-CD2 3.66Å; Y245-L247 HydrophobicContact CD2-CD1 4.19Å; Y245-L247 HydrophobicContact CD2-CD2 3.97Å; Y245-L247 HydrophobicContact CD2-CG 3.75Å; Y245-L247 HydrophobicContact CE2-CD1 3.76Å; Y245-L247 HydrophobicContact CE2-CD2 4.38Å; Y245-L247 HydrophobicContact CE2-CG 3.79Å
248Y97.8Very high93.5Very high51 Ų5173.1 Ų73.120%0.236%0.364CS..EExtended strand (participates in β ladder)trans-136.9103.7-175.6-58.6-91.5000110.8F190 F192 M214 R235 S237 C238F190-Y248 PolarHBondContact N-O 3.1Å; F190-Y248 PolarHBondContact O-N 3.37Å; F192-Y248 HydrophobicContact CE1-CD2 4.19Å; F192-Y248 HydrophobicContact CE1-CE2 4.26Å; F192-Y248 HydrophobicContact CZ-CD2 4.41Å; F192-Y248 HydrophobicContact CZ-CE2 4.02Å; M214-Y248 HydrophobicContact CE-CD1 3.76Å; M214-Y248 HydrophobicContact CE-CD2 3.41Å; M214-Y248 VanDerWaalsContact CE-CD2 3.41Å; M214-Y248 HydrophobicContact CE-CE1 4.08Å; M214-Y248 HydrophobicContact CE-CE2 3.75Å; M214-Y248 HydrophobicContact CE-CG 3.42Å; M214-Y248 VanDerWaalsContact CE-CG 3.42Å; M214-Y248 HydrophobicContact SD-CD2 3.5Å; M214-Y248 VanDerWaalsContact SD-CD2 3.5Å; M214-Y248 HydrophobicContact SD-CE2 4.22Å; M214-Y248 HydrophobicContact SD-CG 3.77Å; R235-Y248 HydrophobicContact CB-CD1 4.5Å; S237-Y248 WeakPolarHBondContact CA-OH 3.4Å; C238-Y248 PolarHBondContact N-OH 3.41Å
249S98.3Very high93.9Very high66 Ų6676.3 Ų76.346%0.46237%0.371SS..EExtended strand (participates in β ladder)trans-85.9123168.9-56.50000109.6Y189Y189-S249 VanDerWaalsContact CD2-OG 3.23Å; Y189-S249 WeakPolarHBondContact CD2-OG 3.25Å
250I98.6Very high94.3Very high2 Ų273.2 Ų73.21%0.0136%0.364CS..EExtended strand (participates in β ladder)trans-111.6108.4175.8-56.7-174.8000107.8Q187 T188 F190 M214 Q216 S233 R235Q187-I250 CarbonylContact C-O 3.53Å; Q187-I250 VanDerWaalsContact CA-O 3.27Å; Q187-I250 WeakPolarHBondContact CA-O 3.44Å; T188-I250 PolarHBondContact N-O 3.14Å; T188-I250 PolarHBondContact O-N 2.99Å; F190-I250 HydrophobicContact CD2-CD1 4.03Å; F190-I250 HydrophobicContact CD2-CG1 4.26Å; F190-I250 HydrophobicContact CE2-CD1 3.72Å; F190-I250 HydrophobicContact CE2-CG1 4.25Å; M214-I250 HydrophobicContact CB-CD1 4Å; M214-I250 WeakPolarHBondContact O-CD1 3.43Å; Q216-I250 HydrophobicContact CB-CG2 3.99Å; Q216-I250 PolarHBondContact NE2-O 3.03Å; Q216-I250 PolarHBondContact OE1-O 2.9Å; S233-I250 WeakPolarHBondContact OG-CG2 3.32Å; R235-I250 HydrophobicContact CB-CD1 4.05Å; R235-I250 HydrophobicContact CG-CD1 3.84Å; R235-I250 HydrophobicContact CG-CG1 3.91Å
251Y98.8Very high94.9Very high109 Ų10975.5 Ų75.543%0.42737%0.372SS..EExtended strand (participates in β ladder)trans-105.1138.3170.2178.6-88000109.9Y183 Y185 S186 Q187 F282Y183-Y251 PolarHBondContact OH-OH 3.34Å; Y183-Y251 VanDerWaalsContact OH-OH 3.14Å; Y185-Y251 WeakPolarHBondContact CB-OH 3.43Å; Y185-Y251 HydrophobicContact CD2-CE2 4.02Å; Y185-Y251 HydrophobicContact CG-CE2 4.44Å; S186-Y251 WeakPolarHBondContact O-CA 3.48Å; Q187-Y251 HydrophobicContact CB-CD2 4.19Å; Y251-F282 HydrophobicContact CD2-CE2 4.35Å; Y251-F282 HydrophobicContact CE2-CE2 4.34Å
252Q98.5Very high95.7Very high21 Ų2168.5 Ų68.510%0.09834%0.342CS..EExtended strand (participates in β ladder)trans-148.4156.2166.474.1-169.7-55.800110.4Y185 S186 Q216 I218 M231Y185-Q252 VanDerWaalsContact CA-O 3.25Å; Y185-Q252 WeakPolarHBondContact CA-O 3.36Å; S186-Q252 PolarHBondContact N-O 3.39Å; S186-Q252 PolarHBondContact O-N 2.97Å; S186-Q252 VanDerWaalsContact O-N 3.13Å; Q216-Q252 PolarHBondContact O-NE2 2.71Å; I218-Q252 HydrophobicContact CD1-CG 3.79Å; M231-Q252 VanDerWaalsContact CB-OE1 3.24Å
253G98.6Very high96.4Very high31 Ų3166.1 Ų66.132%0.3232%0.323SS..EExtended strand (participates in β ladder)trans-163.2159.917100000113.2I184 M231I184-G253 CarbonylContact O-C 3.49Å; I184-G253 WeakPolarHBondContact O-CA 3.43Å; M231-G253 VanDerWaalsContact SD-C 3.51Å
254G98.3Very high97Very high17 Ų1765.1 Ų65.118%0.17532%0.316CS..EExtended strand (participates in β ladder)trans-171166.3-174.100000112.4Y183 I184 M231Y183-G254 WeakPolarHBondContact CA-O 3.25Å; I184-G254 PolarHBondContact N-O 3.37Å; I184-G254 PolarHBondContact O-N 3.3Å; M231-G254 PolarHBondContact SD-N 3.43Å; M231-G254 VanDerWaalsContact SD-N 3.44Å
255I98.5Very high97.5Very high101 Ų10158.4 Ų58.452%0.51828%0.284SS..EExtended strand (participates in β ladder)trans-100129.3-175.7-55.6171.8000109.7F181 Y182 Y183 I288F181-I255 HydrophobicContact CB-CG2 4.02Å; F181-I255 HydrophobicContact CD1-CG2 4.42Å; Y182-I255 VanDerWaalsContact O-CA 3.29Å; Y182-I255 WeakPolarHBondContact O-CA 3.34Å; Y183-I255 HydrophobicContact CD2-CG1 4Å; I255-I288 HydrophobicContact CD1-CD1 3.64Å; I255-I288 HydrophobicContact CG1-CD1 3.72Å; I255-I288 HydrophobicContact CG2-CD1 4.21Å
256F98.2Very high97.8Very high54 Ų5451.9 Ų51.924%0.23726%0.259CS..EExtended strand (participates in β ladder)trans-138.1143.4177.8-64-90000110.8Y182 I184 L230 M231 L258Y182-F256 PolarHBondContact N-O 2.97Å; Y182-F256 PolarHBondContact O-N 3.06Å; I184-F256 HydrophobicContact CD1-CB 4.15Å; I184-F256 HydrophobicContact CD1-CD2 3.97Å; I184-F256 HydrophobicContact CD1-CG 4.4Å; L230-F256 HydrophobicContact CB-CD1 4.23Å; L230-F256 HydrophobicContact CB-CD2 4.44Å; L230-F256 HydrophobicContact CB-CE1 3.86Å; L230-F256 HydrophobicContact CB-CE2 4.14Å; L230-F256 HydrophobicContact CB-CG 4.5Å; L230-F256 HydrophobicContact CB-CZ 3.82Å; L230-F256 HydrophobicContact CD1-CB 4.4Å; L230-F256 HydrophobicContact CD1-CD1 4.33Å; L230-F256 HydrophobicContact CD1-CD2 4.18Å; L230-F256 HydrophobicContact CD1-CG 4.02Å; L230-F256 HydrophobicContact CD2-CD1 3.75Å; L230-F256 HydrophobicContact CD2-CE1 4.04Å; L230-F256 HydrophobicContact CD2-CG 4.26Å; L230-F256 HydrophobicContact CG-CD1 4.33Å; L230-F256 HydrophobicContact CG-CE1 4.43Å; L230-F256 WeakPolarHBondContact O-CZ 3.26Å; M231-F256 HydrophobicContact CE-CD2 4.25Å; M231-F256 HydrophobicContact CE-CE2 3.59Å; M231-F256 HydrophobicContact CE-CZ 4.44Å; M231-F256 HydrophobicContact CG-CE2 3.6Å; M231-F256 HydrophobicContact CG-CZ 3.52Å; M231-F256 HydrophobicContact SD-CE2 3.64Å; M231-F256 HydrophobicContact SD-CZ 4.16Å; F256-L258 HydrophobicContact CB-CD2 4.41Å
257E97.4Very high98Very high109 Ų10951.9 Ų51.951%0.50926%0.258SS..EExtended strand (participates in β ladder)trans-74.7124.4167.5-165.7-174.2172.300109.6F181 K220F181-E257 HydrophobicContact CD1-CB 3.92Å; F181-E257 HydrophobicContact CD1-CG 4.39Å; F181-E257 HydrophobicContact CE1-CB 3.72Å; F181-E257 HydrophobicContact CE1-CG 4.08Å; K220-E257 PolarHBondContact NZ-O 3.36Å
258L97.7Very high98.1Very high0 Ų047.7 Ų47.70%024%0.236CC..EExtended strand (participates in β ladder)trans-122.1138.6176.6-54.5179.8000109.2I176 T179 G180 Y182 I184 K220 F256 D262 I264I176-L258 HydrophobicContact CD1-CD1 3.52Å; I176-L258 HydrophobicContact CG1-CB 3.99Å; I176-L258 HydrophobicContact CG1-CD1 3.61Å; I176-L258 HydrophobicContact CG1-CG 4.42Å; I176-L258 HydrophobicContact CG2-CB 4.25Å; T179-L258 VanDerWaalsContact CA-O 3.3Å; T179-L258 WeakPolarHBondContact CA-O 3.41Å; G180-L258 PolarHBondContact N-O 3.33Å; G180-L258 PolarHBondContact O-N 3.39Å; Y182-L258 HydrophobicContact CD2-CB 3.85Å; Y182-L258 HydrophobicContact CD2-CD1 3.78Å; Y182-L258 HydrophobicContact CD2-CG 3.96Å; Y182-L258 HydrophobicContact CE2-CB 4.21Å; Y182-L258 HydrophobicContact CG-CD1 3.81Å; Y182-L258 HydrophobicContact CG-CG 4.4Å; I184-L258 HydrophobicContact CD1-CD1 3.99Å; I184-L258 HydrophobicContact CD1-CD2 4.39Å; I184-L258 HydrophobicContact CG1-CD1 4.49Å; K220-L258 HydrophobicContact CD-CD2 3.36Å; K220-L258 HydrophobicContact CG-CD2 4.27Å; F256-L258 HydrophobicContact CB-CD2 4.41Å; L258-D262 HydrophobicContact CB-CB 4.36Å; L258-I264 HydrophobicContact CD1-CD1 4.3Å; L258-I264 HydrophobicContact CD1-CG2 3.98Å; L258-I264 HydrophobicContact CD2-CG2 4.04Å
259K97.4Very high98Very high129 Ų12946.7 Ų46.756%0.56124%0.235SC*.  trans-90.3158.3173.6-64-178.5-179.9-1780110.4N261 D262K259-N261 PolarHBondContact O-N 3.39Å; K259-D262 PolarHBondContact N-OD2 2.98Å; K259-D262 VanDerWaalsContact O-CB 3.25Å; K259-D262 WeakPolarHBondContact O-CB 3.3Å; K259-D262 PolarHBondContact O-N 2.99Å
260E97Very high97.8Very high115 Ų11545.9 Ų45.954%0.53723%0.226SC..THydrogen-bonded Turntrans-50135.4165.9-170.2-177.9179.100110.4T179 D262T179-E260 PolarHBondContact OG1-N 3.03Å; E260-D262 PolarHBondContact O-N 3.42Å
261N97.1Very high97.6Very high99 Ų9948.3 Ų48.353%0.52924%0.237SC..THydrogen-bonded Turntrans70-0.7-174.8-52.9-60.5000116.6I176 K259 R263I176-N261 PolarHBondContact O-N 3.23Å; K259-N261 PolarHBondContact O-N 3.39Å; N261-R263 WeakPolarHBondContact O-CG 3.45Å
262D98.1Very high97.2Very high4 Ų447.9 Ų47.92%0.02124%0.239CC..  trans-58.2145.8163.7-79.4-11.7000109.1I176 K220 T222 L258 K259 E260I176-D262 HydrophobicContact CG1-CB 4.36Å; I176-D262 WeakPolarHBondContact CG1-O 3.36Å; I176-D262 PolarHBondContact N-O 3.16Å; K220-D262 HydrophobicContact CD-CB 4.39Å; K220-D262 WeakPolarHBondContact CD-OD2 3.48Å; K220-D262 HydrophobicContact CG-CB 4.45Å; K220-D262 IonicContact NZ-OD2 2.69Å; T222-D262 WeakPolarHBondContact CB-OD1 3.32Å; T222-D262 PolarHBondContact OG1-OD1 3.49Å; L258-D262 HydrophobicContact CB-CB 4.36Å; K259-D262 PolarHBondContact N-OD2 2.98Å; K259-D262 VanDerWaalsContact O-CB 3.25Å; K259-D262 WeakPolarHBondContact O-CB 3.3Å; K259-D262 PolarHBondContact O-N 2.99Å; E260-D262 PolarHBondContact O-N 3.42Å
263R98.1Very high97Very high91 Ų9148.2 Ų48.234%0.34324%0.242SC..EExtended strand (participates in β ladder)trans-122.6130.9-178.6-50.1-172.6-61-97.6-7.5109E173 L174 V175 K220 S221 N261E173-R263 HydrophobicContact CB-CB 4.14Å; E173-R263 HydrophobicContact CG-CB 4.47Å; E173-R263 WeakPolarHBondContact OE2-CB 3.38Å; E173-R263 WeakPolarHBondContact OE2-CD 3.44Å; E173-R263 IonicContact OE2-CZ 2.8Å; E173-R263 IonicContact OE2-NE 2.72Å; E173-R263 PolarHBondContact OE2-NE 3.01Å; L174-R263 CarbonylContact O-C 3.56Å; L174-R263 WeakPolarHBondContact O-CA 3.4Å; V175-R263 HydrophobicContact CG1-CG 4.4Å; V175-R263 HydrophobicContact CG2-CG 4.11Å; K220-R263 CarbonylContact C-O 3.5Å; K220-R263 WeakPolarHBondContact CA-O 3.27Å; S221-R263 PolarHBondContact N-O 3.46Å; S221-R263 PolarHBondContact O-N 3.49Å; N261-R263 WeakPolarHBondContact O-CG 3.45Å
264I98.5Very high96.9Very high0 Ų047.4 Ų47.40%023%0.23CC..EExtended strand (participates in β ladder)trans-118.4141.2178.359.2173.5000110.6E173 L174 I176 I184 Y219 K220 L230 L258 F283 A285E173-I264 CarbonylContact C-O 3.59Å; E173-I264 VanDerWaalsContact CA-O 3.26Å; E173-I264 WeakPolarHBondContact CA-O 3.23Å; L174-I264 HydrophobicContact CB-CD1 4.25Å; L174-I264 HydrophobicContact CB-CG1 3.74Å; L174-I264 HydrophobicContact CD1-CD1 4.39Å; L174-I264 PolarHBondContact N-O 2.74Å; L174-I264 PolarHBondContact O-N 3.48Å; I176-I264 HydrophobicContact CD1-CD1 4.5Å; I184-I264 HydrophobicContact CD1-CD1 4.03Å; I184-I264 HydrophobicContact CD1-CG2 4.23Å; I184-I264 HydrophobicContact CG1-CD1 4Å; I184-I264 HydrophobicContact CG2-CD1 3.89Å; Y219-I264 VanDerWaalsContact O-CA 3.24Å; Y219-I264 WeakPolarHBondContact O-CA 3.31Å; K220-I264 HydrophobicContact CB-CG2 4.37Å; K220-I264 HydrophobicContact CG-CG2 4.42Å; L230-I264 HydrophobicContact CD1-CG2 4.4Å; L258-I264 HydrophobicContact CD1-CD1 4.3Å; L258-I264 HydrophobicContact CD1-CG2 3.98Å; L258-I264 HydrophobicContact CD2-CG2 4.04Å; I264-F283 HydrophobicContact CB-CZ 4.16Å; I264-F283 HydrophobicContact CD1-CE2 4.4Å; I264-F283 HydrophobicContact CD1-CZ 3.78Å; I264-F283 HydrophobicContact CG1-CE1 4.27Å; I264-F283 HydrophobicContact CG1-CZ 3.72Å; I264-A285 HydrophobicContact CD1-CB 3.99Å
265F98.4Very high96.8Very high1 Ų147.5 Ų47.50%0.00423%0.226CC..EExtended strand (participates in β ladder)trans-148.5162.9-179.862.6-86000112.8A146 K150 E173 I218 Y219 P227A146-F265 HydrophobicContact CB-CE2 4.23Å; A146-F265 HydrophobicContact CB-CZ 4.21Å; K150-F265 HydrophobicContact CB-CD2 4.22Å; K150-F265 HydrophobicContact CB-CE2 4.43Å; K150-F265 HydrophobicContact CD-CB 4Å; K150-F265 HydrophobicContact CD-CD1 4.4Å; K150-F265 HydrophobicContact CD-CD2 3.45Å; K150-F265 VanDerWaalsContact CD-CD2 3.45Å; K150-F265 HydrophobicContact CD-CE2 3.93Å; K150-F265 HydrophobicContact CD-CG 3.7Å; K150-F265 HydrophobicContact CG-CB 4.32Å; K150-F265 HydrophobicContact CG-CD2 3.65Å; K150-F265 HydrophobicContact CG-CE2 4.27Å; K150-F265 HydrophobicContact CG-CG 4.23Å; E173-F265 HydrophobicContact CB-CB 4.47Å; E173-F265 HydrophobicContact CG-CB 3.67Å; E173-F265 HydrophobicContact CG-CD1 3.87Å; E173-F265 HydrophobicContact CG-CG 4.07Å; I218-F265 WeakPolarHBondContact CA-O 3.39Å; Y219-F265 VanDerWaalsContact CB-CE1 3.48Å; Y219-F265 AromaticContact CD2-CE2 3.83Å; Y219-F265 HydrophobicContact CD2-CE2 3.83Å; Y219-F265 HydrophobicContact CD2-CZ 4.15Å; Y219-F265 HydrophobicContact CG-CE1 4.42Å; Y219-F265 AromaticContact CG-CE2 3.93Å; Y219-F265 HydrophobicContact CG-CE2 3.93Å; Y219-F265 AromaticContact CG-CZ 3.77Å; Y219-F265 HydrophobicContact CG-CZ 3.77Å; Y219-F265 PolarHBondContact N-O 3Å; Y219-F265 PolarHBondContact O-N 3.34Å; Y219-F265 VanDerWaalsContact O-N 3.07Å; P227-F265 HydrophobicContact CB-CE1 4.13Å; P227-F265 HydrophobicContact CB-CZ 3.86Å
266V98.5Very high96.6Very high0 Ų044.2 Ų44.20%021%0.209CC..EExtended strand (participates in β ladder)trans-104.4135.4176.5-175.90000109.4K150 I151 W154 T188 Q216 Y217 I218 V268 F283K150-V266 WeakPolarHBondContact CA-O 3.4Å; I151-V266 HydrophobicContact CD1-CG1 4.13Å; I151-V266 PolarHBondContact N-O 3.09Å; W154-V266 HydrophobicContact CZ2-CB 4.12Å; W154-V266 HydrophobicContact CZ2-CG2 4.24Å; T188-V266 HydrophobicContact CG2-CG1 4.21Å; Q216-V266 HydrophobicContact CG-CG1 3.93Å; Y217-V266 WeakPolarHBondContact O-CA 3.35Å; I218-V266 HydrophobicContact CG1-CG2 4.44Å; V266-V268 HydrophobicContact CG1-CG1 4.33Å; V266-F283 HydrophobicContact CG2-CB 4.11Å; V266-F283 HydrophobicContact CG2-CD1 3.89Å; V266-F283 HydrophobicContact CG2-CD2 3.58Å; V266-F283 HydrophobicContact CG2-CE1 4.18Å; V266-F283 HydrophobicContact CG2-CE2 3.89Å; V266-F283 HydrophobicContact CG2-CG 3.6Å; V266-F283 HydrophobicContact CG2-CZ 4.18Å
267S98Very high96.3Very high1 Ų144.7 Ų44.71%0.00721%0.214CC..EExtended strand (participates in β ladder)trans-127.2146.7171.3-177.10000109.8L147 G148 Q149 Y217L147-S267 WeakPolarHBondContact O-CB 3.42Å; L147-S267 PolarHBondContact O-OG 3.02Å; G148-S267 WeakPolarHBondContact CA-OG 3.47Å; Q149-S267 PolarHBondContact N-OG 2.98Å; Q149-S267 VanDerWaalsContact N-OG 3.13Å; Q149-S267 CarbonylContact O-C 3.53Å; Q149-S267 VanDerWaalsContact O-CA 3.31Å; Q149-S267 WeakPolarHBondContact O-CA 3.43Å; Q149-S267 PolarHBondContact O-OG 2.84Å; Y217-S267 WeakPolarHBondContact CD2-O 3.36Å; Y217-S267 PolarHBondContact N-O 3.4Å; Y217-S267 PolarHBondContact O-N 3.23Å
268V97.9Very high96.1Very high0 Ų042.3 Ų42.30%020%0.203CC..EExtended strand (participates in β ladder)trans-135.7149.3-176.8-65.20000112.6G148 Q149 I151 T188 F190 V215 Q216 V266 E271 I274G148-V268 CarbonylContact C-O 2.98Å; G148-V268 VanDerWaalsContact CA-O 3.26Å; G148-V268 WeakPolarHBondContact CA-O 3.38Å; Q149-V268 PolarHBondContact N-O 3.21Å; Q149-V268 PolarHBondContact O-N 2.88Å; I151-V268 HydrophobicContact CD1-CG1 3.8Å; I151-V268 HydrophobicContact CD1-CG2 4.02Å; I151-V268 HydrophobicContact CG1-CG1 4.45Å; I151-V268 HydrophobicContact CG1-CG2 3.97Å; T188-V268 HydrophobicContact CG2-CG1 3.86Å; F190-V268 HydrophobicContact CZ-CB 4.16Å; F190-V268 HydrophobicContact CZ-CG1 4.3Å; V215-V268 CarbonylContact O-C 3.53Å; V215-V268 VanDerWaalsContact O-CA 3.24Å; V215-V268 WeakPolarHBondContact O-CA 3.42Å; Q216-V268 HydrophobicContact CB-CG1 4.46Å; Q216-V268 HydrophobicContact CG-CG1 4.39Å; V266-V268 HydrophobicContact CG1-CG1 4.33Å; V268-E271 HydrophobicContact CG2-CB 3.89Å; V268-E271 HydrophobicContact CG2-CG 4.17Å; V268-I274 HydrophobicContact CG1-CD1 4.47Å; V268-I274 HydrophobicContact CG2-CD1 4.43Å; V268-I274 HydrophobicContact CG2-CG1 4.01Å
269T96.3Very high95.8Very high30 Ų3048.4 Ų48.418%0.18423%0.232CC..SBendtrans-72.7159.6159.157.70000109.6F190 Q213 M214 V215 Y217 E271F190-T269 VanDerWaalsContact CE1-O 3.25Å; F190-T269 WeakPolarHBondContact CE1-O 3.48Å; Q213-T269 WeakPolarHBondContact O-CB 3.41Å; Q213-T269 PolarHBondContact O-OG1 2.97Å; M214-T269 WeakPolarHBondContact CA-OG1 3.34Å; V215-T269 HydrophobicContact CB-CG2 4.06Å; V215-T269 HydrophobicContact CG2-CG2 4.18Å; V215-T269 PolarHBondContact N-OG1 3.36Å; V215-T269 PolarHBondContact O-N 3.4Å; Y217-T269 HydrophobicContact CE2-CG2 4.21Å; T269-E271 VanDerWaalsContact C-N 3.26Å; T269-E271 PolarHBondContact O-N 2.91Å; T269-E271 VanDerWaalsContact O-N 3.1Å
270N93.4Very high95.7Very high50 Ų5043.1 Ų43.127%0.26721%0.212SC..SBendtrans48.143.2173.1-61-65000114.8F190 Q213 Q272 L273F190-N270 HydrophobicContact CE1-CB 4.5Å; Q213-N270 PolarHBondContact O-ND2 3.46Å; N270-Q272 VanDerWaalsContact C-OE1 3.3Å; N270-Q272 PolarHBondContact O-N 3.48Å; N270-Q272 PolarHBondContact OD1-NE2 3.01Å; N270-L273 HydrophobicContact CB-CD1 3.75Å; N270-L273 HydrophobicContact CB-CG 4.03Å; N270-L273 WeakPolarHBondContact O-CB 3.31Å; N270-L273 PolarHBondContact O-N 3.35Å
271E94.1Very high95.7Very high53 Ų5337.7 Ų37.725%0.24819%0.186CC..G310 helixtrans-49.1-33.4-178.4-174.9-171.3-170.200112.9Q149 V268 T269 L273 I274Q149-E271 HydrophobicContact CB-CB 4.1Å; Q149-E271 WeakPolarHBondContact CB-OE2 3.29Å; Q149-E271 PolarHBondContact OE1-OE2 3.08Å; V268-E271 HydrophobicContact CG2-CB 3.89Å; V268-E271 HydrophobicContact CG2-CG 4.17Å; T269-E271 VanDerWaalsContact C-N 3.26Å; T269-E271 PolarHBondContact O-N 2.91Å; T269-E271 VanDerWaalsContact O-N 3.1Å; E271-L273 PolarHBondContact O-N 2.96Å; E271-I274 WeakPolarHBondContact O-CB 3.49Å; E271-I274 WeakPolarHBondContact O-CG1 3.37Å; E271-I274 PolarHBondContact O-N 3.43Å
272Q92.1Very high95.7Very high99 Ų9934.5 Ų34.546%0.46317%0.168SC..G310 helixtrans-58.8-21178.667.8-78.9-1.400114.4R133 N270R133-Q272 PolarHBondContact NH2-O 3.2Å; R133-Q272 VanDerWaalsContact NH2-O 3.12Å; N270-Q272 VanDerWaalsContact C-OE1 3.3Å; N270-Q272 PolarHBondContact O-N 3.48Å; N270-Q272 PolarHBondContact OD1-NE2 3.01Å
273L94.4Very high95.7Very high29 Ų2934.3 Ų34.315%0.15217%0.167CC..G310 helixtrans-95-0.7179.4-47.1-179000112.8F190 R191 F192 K212 N270 E271F190-L273 CarbonylContact C-O 3.5Å; F190-L273 WeakPolarHBondContact CA-O 3.49Å; F190-L273 HydrophobicContact CD1-CB 4.39Å; R191-L273 PolarHBondContact N-O 3.48Å; F192-L273 HydrophobicContact CB-CB 4.48Å; F192-L273 HydrophobicContact CB-CD1 4.48Å; F192-L273 HydrophobicContact CB-CD2 3.92Å; F192-L273 HydrophobicContact CD1-CB 4.21Å; F192-L273 HydrophobicContact CD1-CD1 3.76Å; F192-L273 HydrophobicContact CD1-CG 4.42Å; F192-L273 HydrophobicContact CE1-CD1 4.27Å; F192-L273 HydrophobicContact CG-CD1 4.2Å; F192-L273 HydrophobicContact CG-CD2 4.48Å; K212-L273 HydrophobicContact CD-CD1 3.77Å; N270-L273 HydrophobicContact CB-CD1 3.75Å; N270-L273 HydrophobicContact CB-CG 4.03Å; N270-L273 WeakPolarHBondContact O-CB 3.31Å; N270-L273 PolarHBondContact O-N 3.35Å; E271-L273 PolarHBondContact O-N 2.96Å
274I96.1Very high95.7Very high14 Ų1430 Ų307%0.07215%0.151CC..EExtended strand (participates in β ladder)trans-76.5128177.7-61.2-62.6000109.7Y189 F190 V268 E271 M276Y189-I274 WeakPolarHBondContact O-CA 3.44Å; F190-I274 HydrophobicContact CD1-CD1 3.59Å; F190-I274 HydrophobicContact CD2-CD1 3.78Å; F190-I274 HydrophobicContact CE1-CD1 3.45Å; F190-I274 VanDerWaalsContact CE1-CD1 3.45Å; F190-I274 HydrophobicContact CE1-CG1 4.36Å; F190-I274 HydrophobicContact CE2-CD1 3.62Å; F190-I274 HydrophobicContact CG-CD1 3.77Å; F190-I274 HydrophobicContact CZ-CD1 3.48Å; F190-I274 VanDerWaalsContact CZ-CD1 3.48Å; V268-I274 HydrophobicContact CG1-CD1 4.47Å; V268-I274 HydrophobicContact CG2-CD1 4.43Å; V268-I274 HydrophobicContact CG2-CG1 4.01Å; E271-I274 WeakPolarHBondContact O-CB 3.49Å; E271-I274 WeakPolarHBondContact O-CG1 3.37Å; E271-I274 PolarHBondContact O-N 3.43Å; I274-M276 HydrophobicContact CG2-CG 4.07Å; I274-M276 HydrophobicContact CG2-SD 3.6Å; I274-M276 VanDerWaalsContact CG2-SD 3.6Å
275D95.8Very high95.7Very high18 Ų1830 Ų3010%0.09615%0.151CC..EExtended strand (participates in β ladder)trans-84.2122.7165.3-161.1-39.3000109.5Y189 R191 D277 S281Y189-D275 HydrophobicContact CD1-CB 3.63Å; Y189-D275 HydrophobicContact CE1-CB 4.34Å; Y189-D275 HydrophobicContact CG-CB 4.37Å; Y189-D275 PolarHBondContact O-N 3.4Å; R191-D275 HydrophobicContact CB-CB 4.27Å; R191-D275 IonicContact CZ-OD2 3.91Å; R191-D275 IonicContact NE-OD2 3.35Å; R191-D275 PolarHBondContact NE-OD2 3.47Å; R191-D275 IonicContact NH2-OD2 2.81Å; R191-D275 PolarHBondContact NH2-OD2 2.68Å; D275-D277 WeakPolarHBondContact OD1-CB 3.35Å; D275-D277 PolarHBondContact OD1-N 3.31Å; D275-S281 VanDerWaalsContact O-CB 3.3Å; D275-S281 WeakPolarHBondContact O-CB 3.37Å; D275-S281 PolarHBondContact O-OG 2.96Å
276M94.1Very high95.7Very high33 Ų3333.9 Ų33.916%0.16317%0.168CC..  trans-102.919.7-175.7-69.4-63.1-75.300112.7G128 T129 I151 A153 W154 I274G128-M276 CarbonylContact C-O 3.59Å; G128-M276 VanDerWaalsContact CA-O 3.23Å; G128-M276 WeakPolarHBondContact CA-O 3.33Å; T129-M276 CarbonylContact C-O 3.55Å; T129-M276 PolarHBondContact N-O 2.81Å; I151-M276 HydrophobicContact CG2-CE 3.68Å; I151-M276 HydrophobicContact CG2-SD 4.26Å; A153-M276 HydrophobicContact CB-CE 4.12Å; A153-M276 VanDerWaalsContact O-CE 3.31Å; A153-M276 WeakPolarHBondContact O-CE 3.31Å; W154-M276 HydrophobicContact CE3-CE 4.05Å; W154-M276 HydrophobicContact CZ3-CE 4.04Å; I274-M276 HydrophobicContact CG2-CG 4.07Å; I274-M276 HydrophobicContact CG2-SD 3.6Å; I274-M276 VanDerWaalsContact CG2-SD 3.6Å
277D92.8Very high95.6Very high63 Ų6336.1 Ų36.134%0.33718%0.18SC..  trans-59.5146.3166.1-74.7-13.2000111S130 D275 E279 A280 S281S130-D277 WeakPolarHBondContact CB-OD1 3.37Å; S130-D277 PolarHBondContact OG-OD1 3.35Å; D275-D277 WeakPolarHBondContact OD1-CB 3.35Å; D275-D277 PolarHBondContact OD1-N 3.31Å; D277-E279 VanDerWaalsContact C-N 3.28Å; D277-E279 PolarHBondContact O-N 3.29Å; D277-A280 HydrophobicContact CB-CB 4.25Å; D277-A280 PolarHBondContact O-N 3.04Å; D277-A280 VanDerWaalsContact O-N 3.1Å; D277-S281 PolarHBondContact O-N 3.15Å
278Q91.9Very high95.3Very high60 Ų6040.5 Ų40.528%0.2820%0.202SC..THydrogen-bonded Turntrans-65.4-33.4-163.5-68.6-17718.100112.8T127 G128T127-Q278 WeakPolarHBondContact CB-O 3.41Å; T127-Q278 HydrophobicContact CG2-CB 4.38Å; T127-Q278 VanDerWaalsContact CG2-O 3.26Å; T127-Q278 WeakPolarHBondContact CG2-O 3.49Å; G128-Q278 WeakPolarHBondContact O-CG 3.46Å
279E92.2Very high94.1Very high128 Ų12844.5 Ų44.560%0.59824%0.243SC*.THydrogen-bonded Turntrans-83.7-20.3-178.5-52.979.7-177.800111.9D277D277-E279 VanDerWaalsContact C-N 3.28Å; D277-E279 PolarHBondContact O-N 3.29Å
280A94.8Very high94Very high18 Ų1845.3 Ų45.315%0.14925%0.246CC..THydrogen-bonded Turntrans-89.9-47.9-172.600000112.3Q187 Y189 D277Q187-A280 PolarHBondContact NE2-O 2.04Å; Y189-A280 HydrophobicContact CD1-CB 3.72Å; Y189-A280 HydrophobicContact CG-CB 4.17Å; D277-A280 HydrophobicContact CB-CB 4.25Å; D277-A280 PolarHBondContact O-N 3.04Å; D277-A280 VanDerWaalsContact O-N 3.1Å
281S96.9Very high94Very high0 Ų045 Ų450%025%0.245CC..SBendtrans-124125.9-177.1-66.70000111.3G128 Q187 Y189 D275 D277G128-S281 PolarHBondContact N-O 2.89Å; Q187-S281 CarbonylContact O-C 3.59Å; Q187-S281 VanDerWaalsContact O-CA 3.32Å; Q187-S281 WeakPolarHBondContact O-CA 3.47Å; Y189-S281 PolarHBondContact N-OG 3.07Å; D275-S281 VanDerWaalsContact O-CB 3.3Å; D275-S281 WeakPolarHBondContact O-CB 3.37Å; D275-S281 PolarHBondContact O-OG 2.96Å; D277-S281 PolarHBondContact O-N 3.15Å
282F97.3Very high94Very high33 Ų3344.6 Ų44.615%0.14525%0.245CC..EExtended strand (participates in β ladder)trans-153.7161.6-176.751.4-100.9000112.4H125 I126 T127 Y185 S186 Q187 Y251H125-F282 AromaticContact CE1-CD2 3.64Å; H125-F282 AromaticContact CE1-CG 3.68Å; I126-F282 CarbonylContact O-C 3.5Å; I126-F282 VanDerWaalsContact O-CA 3.27Å; I126-F282 WeakPolarHBondContact O-CA 3.27Å; I126-F282 WeakPolarHBondContact O-CB 3.3Å; T127-F282 HydrophobicContact CG2-CB 4.17Å; Y185-F282 HydrophobicContact CD2-CD2 4.31Å; Y185-F282 HydrophobicContact CD2-CE2 4.21Å; Y185-F282 HydrophobicContact CE2-CD2 4.05Å; Y185-F282 HydrophobicContact CE2-CE2 4.16Å; S186-F282 CarbonylContact C-O 3.54Å; S186-F282 VanDerWaalsContact CA-O 3.25Å; S186-F282 WeakPolarHBondContact CA-O 3.24Å; S186-F282 WeakPolarHBondContact CB-O 3.48Å; S186-F282 PolarHBondContact OG-O 3.45Å; Q187-F282 HydrophobicContact CB-CD1 4.12Å; Q187-F282 HydrophobicContact CB-CD2 3.98Å; Q187-F282 HydrophobicContact CB-CE1 3.68Å; Q187-F282 HydrophobicContact CB-CE2 3.52Å; Q187-F282 HydrophobicContact CB-CG 4.26Å; Q187-F282 HydrophobicContact CB-CZ 3.35Å; Q187-F282 HydrophobicContact CG-CE1 4.3Å; Q187-F282 HydrophobicContact CG-CZ 4.18Å; Q187-F282 PolarHBondContact N-O 3.18Å; Q187-F282 PolarHBondContact O-N 2.89Å; Q187-F282 VanDerWaalsContact O-O 3.1Å; Y251-F282 HydrophobicContact CD2-CE2 4.35Å; Y251-F282 HydrophobicContact CE2-CE2 4.34Å
283F98.3Very high94.1Very high0 Ų041.4 Ų41.40%023%0.232CC..EExtended strand (participates in β ladder)trans-140.7140.2179.6178.7-144.9000109.5I126 W154 L174 I184 Y185 I264 V266I126-F283 HydrophobicContact CD1-CB 4.43Å; I126-F283 HydrophobicContact CD1-CD1 4.04Å; I126-F283 HydrophobicContact CG1-CB 4.02Å; I126-F283 HydrophobicContact CG1-CD1 4.46Å; I126-F283 VanDerWaalsContact CG1-O 3.23Å; I126-F283 WeakPolarHBondContact CG1-O 3.28Å; I126-F283 PolarHBondContact N-O 2.94Å; I126-F283 PolarHBondContact O-N 2.8Å; W154-F283 HydrophobicContact CD2-CB 4.48Å; W154-F283 HydrophobicContact CH2-CB 4.24Å; W154-F283 HydrophobicContact CZ2-CB 4.01Å; L174-F283 HydrophobicContact CB-CE1 4.32Å; L174-F283 HydrophobicContact CD1-CD1 3.92Å; L174-F283 HydrophobicContact CD1-CE1 3.7Å; L174-F283 HydrophobicContact CD1-CG 4.44Å; L174-F283 HydrophobicContact CD1-CZ 4.07Å; L174-F283 HydrophobicContact CG-CD1 4.22Å; L174-F283 HydrophobicContact CG-CE1 3.92Å; I184-F283 HydrophobicContact CG2-CE2 3.64Å; I184-F283 HydrophobicContact CG2-CZ 4.27Å; Y185-F283 VanDerWaalsContact O-CD2 3.24Å; Y185-F283 WeakPolarHBondContact O-CD2 3.46Å; I264-F283 HydrophobicContact CB-CZ 4.16Å; I264-F283 HydrophobicContact CD1-CE2 4.4Å; I264-F283 HydrophobicContact CD1-CZ 3.78Å; I264-F283 HydrophobicContact CG1-CE1 4.27Å; I264-F283 HydrophobicContact CG1-CZ 3.72Å; V266-F283 HydrophobicContact CG2-CB 4.11Å; V266-F283 HydrophobicContact CG2-CD1 3.89Å; V266-F283 HydrophobicContact CG2-CD2 3.58Å; V266-F283 HydrophobicContact CG2-CE1 4.18Å; V266-F283 HydrophobicContact CG2-CE2 3.89Å; V266-F283 HydrophobicContact CG2-CG 3.6Å; V266-F283 HydrophobicContact CG2-CZ 4.18Å
284G97.9Very high94.1Very high0 Ų042.1 Ų42.10%024%0.237CC..EExtended strand (participates in β ladder)trans-160.2166.7179.800000113.8A124 Y185A124-G284 CarbonylContact O-C 3.44Å; A124-G284 WeakPolarHBondContact O-CA 3.45Å; Y185-G284 WeakPolarHBondContact CD1-O 3.38Å; Y185-G284 PolarHBondContact N-O 3.28Å; Y185-G284 PolarHBondContact O-N 3.2Å; Y185-G284 VanDerWaalsContact O-O 3.14Å
285A98.4Very high93.9Very high0 Ų044 Ų440%025%0.248CC..EExtended strand (participates in β ladder)trans-154.1151.2174.100000110.7A123 A124 Y182 Y183 I184 I264A123-A285 CarbonylContact C-O 3.45Å; A123-A285 VanDerWaalsContact CA-O 3.28Å; A123-A285 WeakPolarHBondContact CA-O 3.46Å; A124-A285 PolarHBondContact N-O 3.46Å; A124-A285 PolarHBondContact O-N 2.89Å; Y182-A285 HydrophobicContact CD1-CB 4.3Å; Y183-A285 CarbonylContact O-C 3.6Å; Y183-A285 WeakPolarHBondContact O-CA 3.37Å; I184-A285 HydrophobicContact CG1-CB 4.29Å; I264-A285 HydrophobicContact CD1-CB 3.99Å
286F97.9Very high93.8Very high83 Ų8345.9 Ų45.936%0.36426%0.259SS..EExtended strand (participates in β ladder)trans-144.4148.9169.562.4-92.7000111.4V122 A123 Y182 Y183 Y185 I288V122-F286 WeakPolarHBondContact O-CA 3.49Å; A123-F286 HydrophobicContact CB-CB 3.7Å; Y182-F286 VanDerWaalsContact CA-O 3.31Å; Y182-F286 WeakPolarHBondContact CA-O 3.41Å; Y183-F286 HydrophobicContact CD1-CD1 4.21Å; Y183-F286 AromaticContact CD1-CE1 3.38Å; Y183-F286 HydrophobicContact CD1-CE1 3.38Å; Y183-F286 AromaticContact CD1-CZ 3.76Å; Y183-F286 HydrophobicContact CD1-CZ 3.76Å; Y183-F286 HydrophobicContact CE1-CE1 4.26Å; Y183-F286 AromaticContact CG-CE1 3.94Å; Y183-F286 HydrophobicContact CG-CE1 3.94Å; Y183-F286 AromaticContact CG-CZ 3.87Å; Y183-F286 HydrophobicContact CG-CZ 3.87Å; Y183-F286 PolarHBondContact N-O 3.35Å; Y183-F286 PolarHBondContact O-N 3.34Å; Y185-F286 HydrophobicContact CE1-CD1 4.33Å; F286-I288 HydrophobicContact CD2-CG1 4.19Å; F286-I288 HydrophobicContact CE2-CD1 4.41Å; F286-I288 HydrophobicContact CE2-CG1 3.81Å
287L96.8Very high93.8Very high47 Ų4746.8 Ų46.825%0.24627%0.266CS..EExtended strand (participates in β ladder)trans-74.5131.8178.5-175.968.7000110.3V122 Y182V122-L287 HydrophobicContact CB-CB 3.7Å; V122-L287 HydrophobicContact CB-CD2 4.05Å; V122-L287 HydrophobicContact CG1-CB 4.07Å; V122-L287 HydrophobicContact CG2-CB 4.46Å; V122-L287 HydrophobicContact CG2-CD2 3.88Å; V122-L287 PolarHBondContact O-N 3.44Å; Y182-L287 HydrophobicContact CD1-CB 4.44Å; Y182-L287 HydrophobicContact CD2-CD1 4.15Å; Y182-L287 HydrophobicContact CE1-CB 4.04Å; Y182-L287 HydrophobicContact CE1-CD1 4.38Å; Y182-L287 HydrophobicContact CE2-CD1 3.69Å
288I92.8Very high93.9Very high93 Ų9345.5 Ų45.548%0.47726%0.26SS..  trans-99.5-36.1175.6-66.4169.3000111.2F181 I255 F286F181-I288 PolarHBondContact O-N 3.48Å; I255-I288 HydrophobicContact CD1-CD1 3.64Å; I255-I288 HydrophobicContact CG1-CD1 3.72Å; I255-I288 HydrophobicContact CG2-CD1 4.21Å; F286-I288 HydrophobicContact CD2-CG1 4.19Å; F286-I288 HydrophobicContact CE2-CD1 4.41Å; F286-I288 HydrophobicContact CE2-CG1 3.81Å
289G71.3Confident94.1Very high84 Ų8444.2 Ų44.287%0.86626%0.259SS*.  trans-171.70-175.600000112.3G180 F181G180-G289 WeakPolarHBondContact CA-O 3.44Å; F181-G289 PolarHBondContact N-O 2.89Å

Retrieved 289 of 289 residues in 168.2 ms (Link to these results)