A0A096N7Z2_PAPAN Loading...

Receptor transporter protein 4

AlphaFold DB , UniProt , Accession A0A096N7Z2, Species PAPAN (Papio anubis, Olive baboon), Gene RTP4, Length 247 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M45Very low83Confident174 Ų17487.7 Ų87.786%0.85744%0.437SS*.  0156.20-76.6166.5-78.800106.7E105M1-E105 PolarHBondContact N-OE1 3.09Å
2V61.1Low84.2Confident141 Ų14180.4 Ų80.486%0.85540%0.401SS*.  trans-77144.5-177.4-178.20000108.8D4V2-D4 PolarHBondContact O-N 2.92Å
3V71.6Confident85.2Confident24 Ų2478.6 Ų78.615%0.14539%0.39CS..  trans-51.1123.9171.6175.80000109.1I5 L29 L88 P104V3-I5 VanDerWaalsContact C-N 3.3Å; V3-I5 PolarHBondContact O-N 3.09Å; V3-L29 HydrophobicContact CB-CD1 4.47Å; V3-L29 HydrophobicContact CG1-CD1 4.04Å; V3-L88 HydrophobicContact CG1-CD1 4.19Å; V3-L88 HydrophobicContact CG2-CD1 4.05Å; V3-P104 WeakPolarHBondContact CG2-O 3.46Å
4D84.4Confident86Confident90 Ų9080.6 Ų80.648%0.48140%0.398SS..  trans-7587.8176.8-168.6-15.1000109.9V2 R6 T7 W8V2-D4 PolarHBondContact O-N 2.92Å; D4-R6 PolarHBondContact O-N 3.5Å; D4-R6 WeakPolarHBondContact OD1-CB 3.28Å; D4-R6 PolarHBondContact OD1-N 3.47Å; D4-R6 VanDerWaalsContact OD1-N 3.07Å; D4-T7 VanDerWaalsContact CG-OG1 3.22Å; D4-T7 PolarHBondContact O-N 3Å; D4-T7 PolarHBondContact OD1-N 3.28Å; D4-T7 PolarHBondContact OD2-OG1 3.48Å; D4-T7 VanDerWaalsContact OD2-OG1 3.13Å; D4-W8 VanDerWaalsContact O-CD1 3.31Å; D4-W8 PolarHBondContact O-N 3.38Å
5I86.1Confident86.7Confident52 Ų5277.6 Ų77.627%0.26738%0.384SS..Hα-helixtrans-58.5-30.4-179.5-173.748.8000112.4V3 W8 E9 L29V3-I5 VanDerWaalsContact C-N 3.3Å; V3-I5 PolarHBondContact O-N 3.09Å; I5-W8 HydrophobicContact CD1-CB 4.36Å; I5-W8 PolarHBondContact O-N 3.12Å; I5-E9 HydrophobicContact CD1-CG 4.03Å; I5-E9 HydrophobicContact CG1-CG 4.23Å; I5-E9 WeakPolarHBondContact O-CB 3.45Å; I5-E9 WeakPolarHBondContact O-CG 3.27Å; I5-E9 PolarHBondContact O-N 3.07Å; I5-L29 HydrophobicContact CB-CD1 4.38Å; I5-L29 HydrophobicContact CD1-CB 4.23Å; I5-L29 HydrophobicContact CD1-CD1 3.62Å; I5-L29 HydrophobicContact CD1-CG 3.49Å; I5-L29 VanDerWaalsContact CD1-CG 3.49Å; I5-L29 HydrophobicContact CG1-CD1 4.3Å; I5-L29 HydrophobicContact CG1-CG 4.46Å
6R90.3Very high87.3Confident196 Ų19672.8 Ų72.874%0.7436%0.36SS*.Hα-helixtrans-68.2-43.1-179.1-65-177.8176.8-173-0.1110.6D4 W8 E9 Q10D4-R6 PolarHBondContact O-N 3.5Å; D4-R6 WeakPolarHBondContact OD1-CB 3.28Å; D4-R6 PolarHBondContact OD1-N 3.47Å; D4-R6 VanDerWaalsContact OD1-N 3.07Å; R6-W8 VanDerWaalsContact C-N 3.33Å; R6-W8 PolarHBondContact O-N 3.49Å; R6-E9 PolarHBondContact O-N 3.27Å; R6-Q10 VanDerWaalsContact O-CB 3.32Å; R6-Q10 WeakPolarHBondContact O-CB 3.4Å; R6-Q10 PolarHBondContact O-N 3.13Å
7T92.3Very high87.8Confident64 Ų6472.4 Ų72.439%0.39336%0.357SS..Hα-helixtrans-60.7-44.2174.2-52.20000111.2D4 Q10 T11D4-T7 VanDerWaalsContact CG-OG1 3.22Å; D4-T7 PolarHBondContact O-N 3Å; D4-T7 PolarHBondContact OD1-N 3.28Å; D4-T7 PolarHBondContact OD2-OG1 3.48Å; D4-T7 VanDerWaalsContact OD2-OG1 3.13Å; T7-Q10 PolarHBondContact O-N 3.21Å; T7-T11 WeakPolarHBondContact O-CB 3.49Å; T7-T11 PolarHBondContact O-N 3.32Å; T7-T11 PolarHBondContact O-OG1 2.96Å; T7-T11 VanDerWaalsContact O-OG1 3.09Å
8W95.3Very high88.2Confident11 Ų1177.6 Ų77.64%0.04238%0.38CS..Hα-helixtrans-62.3-46.8178.6-83.664.1000112.8D4 I5 R6 Q10 F12 L27 M86 L88 F106 T111 I114 L115D4-W8 VanDerWaalsContact O-CD1 3.31Å; D4-W8 PolarHBondContact O-N 3.38Å; I5-W8 HydrophobicContact CD1-CB 4.36Å; I5-W8 PolarHBondContact O-N 3.12Å; R6-W8 VanDerWaalsContact C-N 3.33Å; R6-W8 PolarHBondContact O-N 3.49Å; W8-Q10 VanDerWaalsContact C-N 3.35Å; W8-F12 VanDerWaalsContact O-CB 3.24Å; W8-F12 WeakPolarHBondContact O-CB 2.89Å; W8-F12 PolarHBondContact O-N 3.43Å; W8-L27 HydrophobicContact CB-CD2 4.13Å; W8-M86 HydrophobicContact CE3-SD 3.89Å; W8-M86 HydrophobicContact CZ3-CE 4.11Å; W8-M86 HydrophobicContact CZ3-SD 3.51Å; W8-M86 VanDerWaalsContact CZ3-SD 3.51Å; W8-L88 HydrophobicContact CH2-CD2 4.21Å; W8-L88 HydrophobicContact CZ3-CD2 4.43Å; W8-F106 HydrophobicContact CH2-CD2 4.08Å; W8-F106 HydrophobicContact CH2-CE2 4.19Å; W8-F106 HydrophobicContact CZ2-CB 4.26Å; W8-F106 AromaticContact CZ2-CD2 3.48Å; W8-F106 HydrophobicContact CZ2-CD2 3.48Å; W8-F106 VanDerWaalsContact CZ2-CD2 3.48Å; W8-F106 HydrophobicContact CZ2-CE2 4.01Å; W8-F106 HydrophobicContact CZ2-CG 4.03Å; W8-T111 HydrophobicContact CD2-CG2 3.91Å; W8-T111 HydrophobicContact CG-CG2 4.14Å; W8-T111 HydrophobicContact CZ2-CG2 3.93Å; W8-I114 HydrophobicContact CH2-CB 4.19Å; W8-I114 HydrophobicContact CH2-CD1 3.76Å; W8-I114 HydrophobicContact CH2-CG2 3.74Å; W8-I114 HydrophobicContact CZ2-CD1 4.32Å; W8-I114 HydrophobicContact CZ3-CB 4.46Å; W8-I114 HydrophobicContact CZ3-CG2 3.71Å; W8-L115 HydrophobicContact CE3-CD1 4.28Å; W8-L115 HydrophobicContact CE3-CD2 3.73Å; W8-L115 HydrophobicContact CE3-CG 4.12Å; W8-L115 HydrophobicContact CZ3-CD2 4Å; W8-L115 HydrophobicContact CZ3-CG 4.31Å; W8-L115 WeakPolarHBondContact O-CD1 3.07Å
9E95.2Very high88.5Confident73 Ų7375.5 Ų75.534%0.34138%0.377SS..Hα-helixtrans-60-46176.2-76176.2173.900110.9I5 R6 F12 Q13 L27I5-E9 HydrophobicContact CD1-CG 4.03Å; I5-E9 HydrophobicContact CG1-CG 4.23Å; I5-E9 WeakPolarHBondContact O-CB 3.45Å; I5-E9 WeakPolarHBondContact O-CG 3.27Å; I5-E9 PolarHBondContact O-N 3.07Å; R6-E9 PolarHBondContact O-N 3.27Å; E9-F12 PolarHBondContact O-N 3.24Å; E9-Q13 WeakPolarHBondContact O-CG 3Å; E9-Q13 PolarHBondContact O-N 3.05Å; E9-L27 WeakPolarHBondContact CG-O 3.22Å
10Q95.6Very high88.8Confident118 Ų11874.3 Ų74.355%0.55137%0.369SS*.Hα-helixtrans-62.6-53.1179.5-178-179.2-15.300112.1R6 T7 W8 F12 Q13 E14R6-Q10 VanDerWaalsContact O-CB 3.32Å; R6-Q10 WeakPolarHBondContact O-CB 3.4Å; R6-Q10 PolarHBondContact O-N 3.13Å; T7-Q10 PolarHBondContact O-N 3.21Å; W8-Q10 VanDerWaalsContact C-N 3.35Å; Q10-F12 PolarHBondContact O-N 3Å; Q10-Q13 WeakPolarHBondContact O-CB 3.27Å; Q10-Q13 PolarHBondContact O-N 2.99Å; Q10-E14 WeakPolarHBondContact CG-OE1 3.36Å; Q10-E14 PolarHBondContact NE2-OE1 3.34Å; Q10-E14 WeakPolarHBondContact O-CG 3.5Å; Q10-E14 PolarHBondContact O-N 3.04Å
11T96.2Very high89Confident22 Ų2275.2 Ų75.214%0.13538%0.381CS..Hα-helixtrans-60-38179-590000111.2T7 E14 L15 L115T7-T11 WeakPolarHBondContact O-CB 3.49Å; T7-T11 PolarHBondContact O-N 3.32Å; T7-T11 PolarHBondContact O-OG1 2.96Å; T7-T11 VanDerWaalsContact O-OG1 3.09Å; T11-E14 PolarHBondContact O-N 3.33Å; T11-L15 HydrophobicContact CG2-CD1 4.08Å; T11-L15 VanDerWaalsContact O-CG 3.28Å; T11-L15 WeakPolarHBondContact O-CG 3.41Å; T11-L15 PolarHBondContact O-N 3.48Å; T11-L15 VanDerWaalsContact O-N 3.12Å; T11-L115 HydrophobicContact CG2-CD1 3.77Å
12F97.8Very high91.2Very high0 Ų074.3 Ų74.30%037%0.368CS..Hα-helixtrans-63.8-43.9174.5174.5-103.6000112W8 E9 Q10 L15 I16 W25 L27 V84 L115 L118 V119 I122W8-F12 VanDerWaalsContact O-CB 3.24Å; W8-F12 WeakPolarHBondContact O-CB 2.89Å; W8-F12 PolarHBondContact O-N 3.43Å; E9-F12 PolarHBondContact O-N 3.24Å; Q10-F12 PolarHBondContact O-N 3Å; F12-L15 PolarHBondContact O-N 2.91Å; F12-I16 HydrophobicContact CE1-CG2 4.34Å; F12-I16 VanDerWaalsContact O-CG2 3.29Å; F12-I16 WeakPolarHBondContact O-CG2 3.49Å; F12-I16 PolarHBondContact O-N 2.95Å; F12-W25 HydrophobicContact CE1-CB 3.71Å; F12-W25 HydrophobicContact CZ-CB 3.86Å; F12-L27 HydrophobicContact CB-CB 4.39Å; F12-L27 HydrophobicContact CB-CD2 4.15Å; F12-L27 HydrophobicContact CD1-CB 3.6Å; F12-L27 HydrophobicContact CE1-CB 4.03Å; F12-L27 HydrophobicContact CG-CB 4.01Å; F12-L27 HydrophobicContact CG-CD2 4.47Å; F12-V84 HydrophobicContact CE1-CG2 4.5Å; F12-V84 HydrophobicContact CE2-CG2 4.4Å; F12-V84 HydrophobicContact CZ-CG2 3.84Å; F12-L115 HydrophobicContact CB-CD1 4.21Å; F12-L115 HydrophobicContact CB-CD2 4.1Å; F12-L115 HydrophobicContact CD2-CD2 4.35Å; F12-L118 HydrophobicContact CD2-CD2 3.98Å; F12-L118 HydrophobicContact CE2-CD2 3.78Å; F12-L118 HydrophobicContact CE2-CG 4.13Å; F12-V119 HydrophobicContact CD2-CG2 4.02Å; F12-V119 HydrophobicContact CE2-CG2 3.89Å; F12-I122 HydrophobicContact CE2-CD1 3.89Å; F12-I122 HydrophobicContact CZ-CD1 3.89Å
13Q96.9Very high92.8Very high57 Ų5767.7 Ų67.727%0.26633%0.328SS..Hα-helixtrans-59.5-47.6175.8-73.5-49.5-62.800111.5E9 Q10 L15 I16 Q17 W25E9-Q13 WeakPolarHBondContact O-CG 3Å; E9-Q13 PolarHBondContact O-N 3.05Å; Q10-Q13 WeakPolarHBondContact O-CB 3.27Å; Q10-Q13 PolarHBondContact O-N 2.99Å; Q13-L15 PolarHBondContact O-N 3.43Å; Q13-I16 WeakPolarHBondContact O-CG2 3.31Å; Q13-I16 PolarHBondContact O-N 3.33Å; Q13-Q17 WeakPolarHBondContact O-CB 2.93Å; Q13-Q17 WeakPolarHBondContact O-CG 3.11Å; Q13-Q17 PolarHBondContact O-N 3.49Å; Q13-W25 PolarHBondContact NE2-O 2.77Å; Q13-W25 PolarHBondContact OE1-O 3.49Å
14E96.8Very high93.9Very high106 Ų10672.5 Ų72.550%0.49535%0.347SS..Hα-helixtrans-57.1-50.4179.9-71.1167.1-176.700110.9Q10 T11 I16 Q17 E18Q10-E14 WeakPolarHBondContact CG-OE1 3.36Å; Q10-E14 PolarHBondContact NE2-OE1 3.34Å; Q10-E14 WeakPolarHBondContact O-CG 3.5Å; Q10-E14 PolarHBondContact O-N 3.04Å; T11-E14 PolarHBondContact O-N 3.33Å; E14-I16 PolarHBondContact O-N 3.33Å; E14-Q17 PolarHBondContact O-N 3.37Å; E14-E18 WeakPolarHBondContact O-CB 3.23Å; E14-E18 PolarHBondContact O-N 3.28Å
15L96.8Very high94.6Very high36 Ų3668.2 Ų68.219%0.18832%0.324CS..Hα-helixtrans-63.4-43.3-179-68.6170.1000113.3T11 F12 Q13 A19 L115 V119T11-L15 HydrophobicContact CG2-CD1 4.08Å; T11-L15 VanDerWaalsContact O-CG 3.28Å; T11-L15 WeakPolarHBondContact O-CG 3.41Å; T11-L15 PolarHBondContact O-N 3.48Å; T11-L15 VanDerWaalsContact O-N 3.12Å; F12-L15 PolarHBondContact O-N 2.91Å; Q13-L15 PolarHBondContact O-N 3.43Å; L15-A19 PolarHBondContact O-N 3.47Å; L15-L115 HydrophobicContact CD1-CB 3.76Å; L15-V119 HydrophobicContact CB-CG2 3.93Å
16I95.8Very high95.1Very high0 Ų068 Ų680%033%0.325CS..Hα-helixtrans-76.6-33-178.1-164.262.2000112F12 Q13 E14 A19 K20 W25 V119 I122 L123F12-I16 HydrophobicContact CE1-CG2 4.34Å; F12-I16 VanDerWaalsContact O-CG2 3.29Å; F12-I16 WeakPolarHBondContact O-CG2 3.49Å; F12-I16 PolarHBondContact O-N 2.95Å; Q13-I16 WeakPolarHBondContact O-CG2 3.31Å; Q13-I16 PolarHBondContact O-N 3.33Å; E14-I16 PolarHBondContact O-N 3.33Å; I16-A19 PolarHBondContact O-N 2.95Å; I16-K20 PolarHBondContact O-N 3.39Å; I16-W25 HydrophobicContact CG1-CB 4.06Å; I16-W25 HydrophobicContact CG1-CG 3.83Å; I16-W25 HydrophobicContact CG2-CB 4.06Å; I16-V119 HydrophobicContact CB-CG2 4.12Å; I16-V119 HydrophobicContact CD1-CB 4.49Å; I16-V119 HydrophobicContact CD1-CG1 3.85Å; I16-V119 HydrophobicContact CD1-CG2 4.23Å; I16-I122 HydrophobicContact CD1-CG2 4.09Å; I16-L123 HydrophobicContact CD1-CD2 4.49Å
17Q95.8Very high95.4Very high67 Ų6758.9 Ų58.931%0.31329%0.291SS..Hα-helixtrans-67.5-39175.6-74-59.8-30.400111.5Q13 E14 A19 K20 P21 A23Q13-Q17 WeakPolarHBondContact O-CB 2.93Å; Q13-Q17 WeakPolarHBondContact O-CG 3.11Å; Q13-Q17 PolarHBondContact O-N 3.49Å; E14-Q17 PolarHBondContact O-N 3.37Å; Q17-A19 VanDerWaalsContact C-N 3.3Å; Q17-A19 PolarHBondContact O-N 3.02Å; Q17-K20 CarbonylContact O-C 3.57Å; Q17-P21 WeakPolarHBondContact O-CA 3.49Å; Q17-P21 VanDerWaalsContact O-CD 3.3Å; Q17-P21 WeakPolarHBondContact O-CD 3.49Å; Q17-P21 VanDerWaalsContact O-CG 3.26Å; Q17-P21 WeakPolarHBondContact O-CG 3.47Å; Q17-P21 VanDerWaalsContact O-N 3.15Å; Q17-P21 PolarHBondContact OE1-O 3.35Å; Q17-A23 PolarHBondContact NE2-O 3.22Å; Q17-A23 VanDerWaalsContact NE2-O 3.16Å
18E95.3Very high95.6Very high165 Ų16562 Ų6277%0.77130%0.299SS*.Hα-helixtrans-58.5-43.8172.3-173.5-178167.200111.3E14E14-E18 WeakPolarHBondContact O-CB 3.23Å; E14-E18 PolarHBondContact O-N 3.28Å
19A93Very high95.6Very high38 Ų3864.4 Ų64.431%0.31431%0.313SS..Hα-helixtrans-79.2-33.8-177.200000114.4L15 I16 Q17 V119 L123L15-A19 PolarHBondContact O-N 3.47Å; I16-A19 PolarHBondContact O-N 2.95Å; Q17-A19 VanDerWaalsContact C-N 3.3Å; Q17-A19 PolarHBondContact O-N 3.02Å; A19-V119 HydrophobicContact CB-CG1 4.35Å; A19-L123 HydrophobicContact CB-CD1 3.81Å; A19-L123 HydrophobicContact CB-CD2 3.98Å; A19-L123 HydrophobicContact CB-CG 4.43Å
20K94.1Very high95.5Very high52 Ų5262.8 Ų62.823%0.22631%0.306CS..  trans-144.476.3-176.4-65-65.3172.4-173.40111.5I16 Q17 W22 A23 L123 Y127I16-K20 PolarHBondContact O-N 3.39Å; Q17-K20 CarbonylContact O-C 3.57Å; K20-W22 HydrophobicContact CD-CZ2 4.01Å; K20-W22 PolarHBondContact O-N 2.97Å; K20-A23 HydrophobicContact CB-CB 3.96Å; K20-A23 PolarHBondContact O-N 3.46Å; K20-L123 HydrophobicContact CD-CD2 4.18Å; K20-L123 HydrophobicContact CG-CD2 3.51Å; K20-Y127 HydrophobicContact CD-CD1 4.39Å; K20-Y127 HydrophobicContact CD-CG 4.31Å; K20-Y127 HydrophobicContact CG-CD2 4.31Å; K20-Y127 HydrophobicContact CG-CE2 4.22Å
21P93.3Very high95.3Very high94 Ų9459.6 Ų59.661%0.6131%0.305SS*.THydrogen-bonded Turntrans-60.1-23.1-175.4-2330.5000115.2Q17Q17-P21 WeakPolarHBondContact O-CA 3.49Å; Q17-P21 VanDerWaalsContact O-CD 3.3Å; Q17-P21 WeakPolarHBondContact O-CD 3.49Å; Q17-P21 VanDerWaalsContact O-CG 3.26Å; Q17-P21 WeakPolarHBondContact O-CG 3.47Å; Q17-P21 VanDerWaalsContact O-N 3.15Å; Q17-P21 PolarHBondContact OE1-O 3.35Å
22W92.4Very high95.1Very high154 Ų15465 Ų6558%0.58333%0.333SS*.THydrogen-bonded Turntrans-90.4-11.1-178.654-98.7000113.5K20 W75 Y127K20-W22 HydrophobicContact CD-CZ2 4.01Å; K20-W22 PolarHBondContact O-N 2.97Å; W22-W75 HydrophobicContact CZ3-CH2 4.24Å; W22-W75 HydrophobicContact CZ3-CZ2 4.17Å; W22-Y127 AromaticContact CH2-CD1 3.64Å; W22-Y127 HydrophobicContact CH2-CD1 3.64Å; W22-Y127 AromaticContact CH2-CE1 3.29Å; W22-Y127 HydrophobicContact CH2-CE1 3.29Å; W22-Y127 HydrophobicContact CZ2-CD1 4Å; W22-Y127 AromaticContact CZ2-CE1 3.96Å; W22-Y127 HydrophobicContact CZ2-CE1 3.96Å; W22-Y127 AromaticContact CZ3-CE1 3.87Å; W22-Y127 HydrophobicContact CZ3-CE1 3.87Å
23A93.4Very high94.9Very high2 Ų265.4 Ų65.42%0.01734%0.335CS..  trans-100.7137-179.400000110.5Q17 K20 W75 Y127Q17-A23 PolarHBondContact NE2-O 3.22Å; Q17-A23 VanDerWaalsContact NE2-O 3.16Å; K20-A23 HydrophobicContact CB-CB 3.96Å; K20-A23 PolarHBondContact O-N 3.46Å; A23-W75 HydrophobicContact CB-CH2 3.8Å; A23-W75 HydrophobicContact CB-CZ3 4.1Å; A23-Y127 VanDerWaalsContact CB-OH 3.23Å; A23-Y127 WeakPolarHBondContact CB-OH 3.46Å
24K95.6Very high94.6Very high125 Ų12568.5 Ų68.554%0.54335%0.349SS..EExtended strand (participates in β ladder)trans-102.2112.2175.5-175.8175.8-177.2176.80110S80 Q81 G82K24-S80 PolarHBondContact N-O 2.99Å; K24-S80 VanDerWaalsContact N-O 3.08Å; K24-Q81 HydrophobicContact CB-CG 4.35Å; K24-Q81 CarbonylContact O-C 3.25Å; K24-Q81 VanDerWaalsContact O-CA 3.26Å; K24-Q81 WeakPolarHBondContact O-CA 3.41Å; K24-G82 PolarHBondContact O-N 3.21Å
25W97.8Very high94.2Very high0 Ų065 Ų650%033%0.334CS..EExtended strand (participates in β ladder)trans-106.3153.2174.4-77.179.8000111.2F12 Q13 I16 S74 W75 G82 V84 I122 Y126 Y127F12-W25 HydrophobicContact CE1-CB 3.71Å; F12-W25 HydrophobicContact CZ-CB 3.86Å; Q13-W25 PolarHBondContact NE2-O 2.77Å; Q13-W25 PolarHBondContact OE1-O 3.49Å; I16-W25 HydrophobicContact CG1-CB 4.06Å; I16-W25 HydrophobicContact CG1-CG 3.83Å; I16-W25 HydrophobicContact CG2-CB 4.06Å; W25-S74 WeakPolarHBondContact CH2-O 3.42Å; W25-S74 WeakPolarHBondContact CZ3-O 3.5Å; W25-W75 AromaticContact CE2-CE3 3.71Å; W25-W75 AromaticContact CE2-CZ3 3.88Å; W25-W75 HydrophobicContact CH2-CB 4.24Å; W25-W75 HydrophobicContact CH2-CE3 4.12Å; W25-W75 HydrophobicContact CZ2-CB 4.38Å; W25-W75 HydrophobicContact CZ2-CD2 4.11Å; W25-W75 AromaticContact CZ2-CE3 3.35Å; W25-W75 HydrophobicContact CZ2-CE3 3.35Å; W25-W75 AromaticContact CZ2-CZ3 3.99Å; W25-W75 HydrophobicContact CZ2-CZ3 3.99Å; W25-W75 AromaticContact NE1-CE3 3.89Å; W25-W75 AromaticContact NE1-CZ3 3.58Å; W25-G82 CarbonylContact C-O 3.56Å; W25-G82 VanDerWaalsContact CA-O 3.31Å; W25-G82 WeakPolarHBondContact CA-O 3.36Å; W25-G82 VanDerWaalsContact CE3-C 3.47Å; W25-G82 VanDerWaalsContact CE3-CA 3.46Å; W25-V84 HydrophobicContact CE3-CG2 3.85Å; W25-V84 HydrophobicContact CZ3-CG2 4.08Å; W25-I122 HydrophobicContact CD2-CD1 4.22Å; W25-I122 HydrophobicContact CD2-CG2 4.08Å; W25-I122 HydrophobicContact CE3-CD1 3.77Å; W25-I122 HydrophobicContact CE3-CG1 4.37Å; W25-I122 HydrophobicContact CE3-CG2 4.37Å; W25-I122 HydrophobicContact CH2-CD1 4.43Å; W25-I122 HydrophobicContact CH2-CG1 4.15Å; W25-I122 HydrophobicContact CH2-CG2 3.69Å; W25-I122 HydrophobicContact CZ2-CG2 3.31Å; W25-I122 HydrophobicContact CZ3-CD1 3.88Å; W25-I122 HydrophobicContact CZ3-CG1 4.02Å; W25-I122 HydrophobicContact CZ3-CG2 4.19Å; W25-Y126 AromaticContact CH2-CD2 3.67Å; W25-Y126 HydrophobicContact CH2-CD2 3.67Å; W25-Y126 AromaticContact CH2-CE2 3.77Å; W25-Y126 HydrophobicContact CH2-CE2 3.77Å; W25-Y126 HydrophobicContact CH2-CG 4.33Å; W25-Y126 HydrophobicContact CZ2-CD2 4.05Å; W25-Y126 HydrophobicContact CZ2-CG 4.43Å; W25-Y127 HydrophobicContact CZ2-CE2 4.08Å; W25-Y127 AromaticContact NE1-CE2 3.83Å; W25-Y127 AromaticContact NE1-CZ 3.78Å; W25-Y127 PolarHBondContact NE1-OH 3.08Å
26T97.1Very high93.7Very high49 Ų4968.1 Ų68.130%0.30135%0.351SS..EExtended strand (participates in β ladder)trans-129.5146.717254.10000109.9G82 Q83 V84T26-G82 PolarHBondContact N-O 3.2Å; T26-G82 PolarHBondContact OG1-O 3.47Å; T26-Q83 CarbonylContact O-C 3.53Å; T26-V84 WeakPolarHBondContact O-CB 3.25Å; T26-V84 PolarHBondContact O-N 3.23Å
27L97.5Very high93.3Very high4 Ų471.9 Ų71.92%0.02138%0.376CS..EExtended strand (participates in β ladder)trans-117.8133.9174.1179.585.5000107.6W8 E9 F12 V84 M86 L115 L118W8-L27 HydrophobicContact CB-CD2 4.13Å; E9-L27 WeakPolarHBondContact CG-O 3.22Å; F12-L27 HydrophobicContact CB-CB 4.39Å; F12-L27 HydrophobicContact CB-CD2 4.15Å; F12-L27 HydrophobicContact CD1-CB 3.6Å; F12-L27 HydrophobicContact CE1-CB 4.03Å; F12-L27 HydrophobicContact CG-CB 4.01Å; F12-L27 HydrophobicContact CG-CD2 4.47Å; L27-V84 CarbonylContact C-O 3.58Å; L27-V84 HydrophobicContact CD1-CB 3.94Å; L27-V84 HydrophobicContact CD1-CG1 3.74Å; L27-M86 HydrophobicContact CD1-CB 4.25Å; L27-M86 HydrophobicContact CD1-CE 3.81Å; L27-M86 HydrophobicContact CD1-SD 4.43Å; L27-L115 HydrophobicContact CD2-CD2 4.18Å; L27-L118 HydrophobicContact CD1-CD2 3.84Å
28K95.9Very high92.8Very high129 Ų12971.9 Ų71.956%0.56138%0.378SS*.EExtended strand (participates in β ladder)trans-136.1139.5170.6-67-174.3178.3-179.10109.9V84 R85 M86K28-V84 PolarHBondContact N-O 2.9Å; K28-R85 CarbonylContact O-C 3.59Å; K28-R85 WeakPolarHBondContact O-CA 3.3Å; K28-M86 PolarHBondContact O-N 2.89Å
29L94.8Very high92.4Very high62 Ų6267 Ų6733%0.32537%0.366SS..EExtended strand (participates in β ladder)trans-77.5136.3168-70.1175.7000110.4V3 I5 M86 L88V3-L29 HydrophobicContact CB-CD1 4.47Å; V3-L29 HydrophobicContact CG1-CD1 4.04Å; I5-L29 HydrophobicContact CB-CD1 4.38Å; I5-L29 HydrophobicContact CD1-CB 4.23Å; I5-L29 HydrophobicContact CD1-CD1 3.62Å; I5-L29 HydrophobicContact CD1-CG 3.49Å; I5-L29 VanDerWaalsContact CD1-CG 3.49Å; I5-L29 HydrophobicContact CG1-CD1 4.3Å; I5-L29 HydrophobicContact CG1-CG 4.46Å; L29-M86 CarbonylContact C-O 3.54Å; L29-M86 VanDerWaalsContact CA-O 3.27Å; L29-M86 WeakPolarHBondContact CA-O 3.32Å; L29-M86 HydrophobicContact CD2-CB 4.08Å; L29-M86 HydrophobicContact CD2-CG 4.02Å; L29-M86 WeakPolarHBondContact CD2-O 3.05Å; L29-M86 HydrophobicContact CD2-SD 4.13Å; L29-L88 HydrophobicContact CD2-CD1 4.07Å; L29-L88 HydrophobicContact CD2-CG 4.09Å
30D94.3Very high92.2Very high38 Ų3874.6 Ų74.620%0.20340%0.395CS..  trans-137.699.2178.4-174-11.1000108.9N32 L33 R85 M86 R87D30-N32 PolarHBondContact O-N 3.25Å; D30-N32 VanDerWaalsContact O-N 3.16Å; D30-N32 PolarHBondContact OD1-N 2.76Å; D30-L33 HydrophobicContact CB-CB 4.41Å; D30-L33 WeakPolarHBondContact O-CB 3.32Å; D30-L33 PolarHBondContact O-N 2.78Å; D30-R85 HydrophobicContact CB-CB 4.28Å; D30-R85 IonicContact OD2-NH1 3.93Å; D30-M86 PolarHBondContact N-O 3.35Å; D30-R87 VanDerWaalsContact O-CB 3.32Å; D30-R87 WeakPolarHBondContact O-CB 3.31Å
31G91.3Very high92Very high51 Ų5174.5 Ų74.553%0.52641%0.409SS..THydrogen-bonded Turntrans-66.2-12179.500000114R87G31-R87 WeakPolarHBondContact O-CD 3.3Å; G31-R87 PolarHBondContact O-NE 2.81Å; G31-R87 VanDerWaalsContact O-NE 3.09Å; G31-R87 PolarHBondContact O-NH1 3.11Å; G31-R87 PolarHBondContact O-NH2 3.29Å
32N91.6Very high92.1Very high137 Ų13771.9 Ų71.973%0.73339%0.387SS*.THydrogen-bonded Turntrans-101.32-178.9-61.9-45.2000112.7D30 Q34D30-N32 PolarHBondContact O-N 3.25Å; D30-N32 VanDerWaalsContact O-N 3.16Å; D30-N32 PolarHBondContact OD1-N 2.76Å; N32-Q34 PolarHBondContact O-N 2.78Å
33L93Very high92.1Very high8 Ų868.7 Ų68.74%0.04238%0.378CS..  trans-58.3122.3179.5-153.767.7000110.1D30 L70 H72 R85 R87D30-L33 HydrophobicContact CB-CB 4.41Å; D30-L33 WeakPolarHBondContact O-CB 3.32Å; D30-L33 PolarHBondContact O-N 2.78Å; L33-L70 HydrophobicContact CB-CD2 4.41Å; L33-L70 HydrophobicContact CD2-CD2 4.17Å; L33-L70 HydrophobicContact CD2-CG 3.94Å; L33-L70 HydrophobicContact CG-CD2 4.12Å; L33-L70 HydrophobicContact CG-CG 4.44Å; L33-H72 HydrophobicContact CD1-CB 4.16Å; L33-H72 VanDerWaalsContact CD1-ND1 3.27Å; L33-H72 WeakPolarHBondContact CD1-ND1 3.47Å; L33-H72 HydrophobicContact CD2-CB 4.3Å; L33-R85 HydrophobicContact CD1-CB 3.94Å; L33-R85 HydrophobicContact CD2-CB 4.36Å; L33-R85 WeakPolarHBondContact CD2-O 3.49Å; L33-R87 HydrophobicContact CB-CB 3.74Å; L33-R87 HydrophobicContact CD2-CB 4.31Å; L33-R87 WeakPolarHBondContact O-CD 3.4Å; L33-R87 PolarHBondContact O-NH1 2.88Å
34Q90.8Very high92.2Very high121 Ų12170.7 Ų70.757%0.56539%0.386SS*.  trans-105145.6-180-67.8-176.4700110.5N32 C37 H72N32-Q34 PolarHBondContact O-N 2.78Å; Q34-C37 HydrophobicContact CB-CB 3.92Å; Q34-C37 PolarHBondContact OE1-SG 2.92Å; Q34-H72 PolarHBondContact O-CE1 3.36Å; Q34-H72 PolarHBondContact O-NE2 2.87Å
35L88.7Confident92Very high33 Ų3365.2 Ų65.217%0.17336%0.362CS..THydrogen-bonded Turntrans-62.3136.1174.8-178.774.2000110.6C37 Q44 L70 I161 Q164L35-C37 PolarHBondContact O-N 3.01Å; L35-Q44 VanDerWaalsContact CD1-NE2 3.3Å; L35-L70 HydrophobicContact CD1-CD1 4.21Å; L35-I161 HydrophobicContact CB-CD1 4.3Å; L35-I161 HydrophobicContact CB-CG1 4.23Å; L35-I161 HydrophobicContact CD2-CG1 4.04Å; L35-Q164 VanDerWaalsContact CD2-NE2 3.26Å
36D85.9Confident91.8Very high101 Ų10166.3 Ų66.354%0.5437%0.368SS..THydrogen-bonded Turntrans59.62.8173.4-58.8-32.2000115.8L38 Q44D36-L38 PolarHBondContact O-N 3.15Å; D36-Q44 PolarHBondContact OD1-NE2 2.91Å; D36-Q44 PolarHBondContact OD1-OE1 2.75Å
37C87.2Confident91.6Very high79 Ų7964.1 Ų64.153%0.53435%0.354SS..  trans-89.272.1171.5-65.30000110.3Q34 L35Q34-C37 HydrophobicContact CB-CB 3.92Å; Q34-C37 PolarHBondContact OE1-SG 2.92Å; L35-C37 PolarHBondContact O-N 3.01Å
38L86.9Confident91.4Very high68 Ų6865.8 Ų65.836%0.35636%0.36SS..PPolyproline II helixtrans-95.4132.4-176.3-64.4170.9000112.2D36 W42 Q44 H72D36-L38 PolarHBondContact O-N 3.15Å; L38-W42 HydrophobicContact CB-CB 4.44Å; L38-W42 HydrophobicContact CD2-CB 4.09Å; L38-Q44 HydrophobicContact CD1-CB 4.09Å; L38-Q44 HydrophobicContact CD2-CB 4.2Å; L38-H72 HydrophobicContact CD2-CB 4.27Å
39A86.8Confident91.2Very high63 Ų6359.8 Ų59.852%0.52134%0.335SS..PPolyproline II helixtrans-69.5157.1164.200000110.8G41 W42A39-G41 PolarHBondContact O-N 3.35Å; A39-W42 HydrophobicContact CB-CG 4.36Å; A39-W42 WeakPolarHBondContact O-CB 3.42Å; A39-W42 PolarHBondContact O-N 3.04Å
40Q88.4Confident91.2Very high196 Ų19657 Ų5792%0.91632%0.32SS*.THydrogen-bonded Turntrans-48.3131.1177.1-169.790.17.200111W42Q40-W42 VanDerWaalsContact C-N 3.27Å; Q40-W42 PolarHBondContact O-N 2.9Å
41G89.1Confident91.2Very high51 Ų5155.2 Ų55.253%0.52631%0.31SS..THydrogen-bonded Turntrans83.8-14.2178.600000115.4A39A39-G41 PolarHBondContact O-N 3.35Å
42W95.1Very high91.4Very high38 Ų3857.1 Ų57.114%0.14430%0.301CS..  trans-78.3151176.4-67.472.7000112L38 A39 Q40 H72 T73 Q83 R85L38-W42 HydrophobicContact CB-CB 4.44Å; L38-W42 HydrophobicContact CD2-CB 4.09Å; A39-W42 HydrophobicContact CB-CG 4.36Å; A39-W42 WeakPolarHBondContact O-CB 3.42Å; A39-W42 PolarHBondContact O-N 3.04Å; Q40-W42 VanDerWaalsContact C-N 3.27Å; Q40-W42 PolarHBondContact O-N 2.9Å; W42-H72 HydrophobicContact CE3-CB 3.61Å; W42-H72 HydrophobicContact CZ3-CB 4.09Å; W42-H72 WeakPolarHBondContact CZ3-O 3.47Å; W42-T73 CarbonylContact C-O 3.54Å; W42-T73 VanDerWaalsContact CA-O 3.3Å; W42-T73 WeakPolarHBondContact CA-O 3.28Å; W42-T73 VanDerWaalsContact CE3-C 3.49Å; W42-Q83 HydrophobicContact CH2-CB 3.93Å; W42-Q83 HydrophobicContact CZ3-CB 4.48Å; W42-R85 HydrophobicContact CH2-CG 3.95Å; W42-R85 HydrophobicContact CZ3-CB 4.47Å; W42-R85 HydrophobicContact CZ3-CG 4.01Å
43K93.9Very high91.6Very high88 Ų8850.6 Ų50.638%0.38327%0.267SS..EExtended strand (participates in β ladder)trans-126.2143.9175.4-52.6-63.3170.8-163.60109.9H72 T73 K125 Y126K43-H72 CarbonylContact O-C 3.34Å; K43-H72 WeakPolarHBondContact O-CA 3.41Å; K43-T73 PolarHBondContact N-O 3.26Å; K43-T73 PolarHBondContact O-N 2.93Å; K43-T73 PolarHBondContact O-OG1 2.85Å; K43-K125 HydrophobicContact CG-CG 4.44Å; K43-Y126 WeakPolarHBondContact CB-OH 3.47Å; K43-Y126 HydrophobicContact CG-CE1 4.32Å; K43-Y126 VanDerWaalsContact CG-OH 3.23Å; K43-Y126 WeakPolarHBondContact CG-OH 3.4Å
44Q93.8Very high91.8Very high43 Ų4355.3 Ų55.320%0.20128%0.284CS..EExtended strand (participates in β ladder)trans-94.8141.6179.2-174.7168.2-87.800112L35 D36 L38 Q46 L70 C71 H72L35-Q44 VanDerWaalsContact CD1-NE2 3.3Å; D36-Q44 PolarHBondContact OD1-NE2 2.91Å; D36-Q44 PolarHBondContact OD1-OE1 2.75Å; L38-Q44 HydrophobicContact CD1-CB 4.09Å; L38-Q44 HydrophobicContact CD2-CB 4.2Å; Q44-Q46 HydrophobicContact CG-CG 4.45Å; Q44-L70 HydrophobicContact CG-CD1 3.55Å; Q44-C71 CarbonylContact C-O 3.52Å; Q44-C71 WeakPolarHBondContact CA-O 3.44Å; Q44-H72 PolarHBondContact OE1-NE2 2.78Å
45Y93.1Very high92Very high11 Ų1149.5 Ų49.54%0.04326%0.257CS..EExtended strand (participates in β ladder)trans-133.7140168.2176.7-128000109.3Q47 C71 L118 H121 E136Y45-Q47 HydrophobicContact CE1-CB 4.19Å; Y45-Q47 HydrophobicContact CE1-CG 4.23Å; Y45-C71 HydrophobicContact CD1-CB 4.33Å; Y45-C71 PolarHBondContact N-O 2.83Å; Y45-C71 PolarHBondContact O-N 3.49Å; Y45-L118 HydrophobicContact CD1-CD1 3.92Å; Y45-L118 HydrophobicContact CE1-CB 4.37Å; Y45-L118 HydrophobicContact CE1-CD1 4.46Å; Y45-H121 HydrophobicContact CD1-CB 4.04Å; Y45-H121 HydrophobicContact CD2-CB 4.08Å; Y45-H121 AromaticContact CD2-CE1 3.81Å; Y45-H121 AromaticContact CD2-CG 3.66Å; Y45-H121 AromaticContact CD2-ND1 3.22Å; Y45-H121 WeakPolarHBondContact CD2-ND1 3.16Å; Y45-H121 HydrophobicContact CE1-CB 4.1Å; Y45-H121 HydrophobicContact CE2-CB 4.17Å; Y45-H121 AromaticContact CE2-ND1 3.91Å; Y45-H121 HydrophobicContact CG-CB 4.03Å; Y45-H121 AromaticContact CG-CD2 3.97Å; Y45-H121 AromaticContact CG-CE1 3.91Å; Y45-H121 AromaticContact CG-CG 3.56Å; Y45-H121 AromaticContact CG-ND1 3.53Å; Y45-E136 WeakPolarHBondContact CE2-OE1 3.02Å; Y45-E136 VanDerWaalsContact OH-CD 3.29Å; Y45-E136 PolarHBondContact OH-OE1 3.38Å; Y45-E136 PolarHBondContact OH-OE2 3.04Å
46Q92.7Very high92.3Very high23 Ų2350.9 Ų50.911%0.10727%0.269CS..EExtended strand (participates in β ladder)trans-128.8144176.1-67.2176.63200108.7Q44 I69 L70 L166Q44-Q46 HydrophobicContact CG-CG 4.45Å; Q46-I69 WeakPolarHBondContact CA-O 3.28Å; Q46-L70 HydrophobicContact CG-CD1 3.76Å; Q46-L166 HydrophobicContact CB-CD1 3.75Å; Q46-L166 HydrophobicContact CB-CD2 4.22Å
47Q92.7Very high92.8Very high2 Ų250.5 Ų50.51%0.00928%0.275CS..EExtended strand (participates in β ladder)trans-145.6165.7171.665.5179.6-54.400111.2Y45 I69 I114 N117Y45-Q47 HydrophobicContact CE1-CB 4.19Å; Y45-Q47 HydrophobicContact CE1-CG 4.23Å; Q47-I69 HydrophobicContact CG-CB 3.81Å; Q47-I69 HydrophobicContact CG-CD1 4.3Å; Q47-I69 HydrophobicContact CG-CG1 4.48Å; Q47-I69 HydrophobicContact CG-CG2 4.19Å; Q47-I69 PolarHBondContact N-O 2.96Å; Q47-I69 PolarHBondContact O-N 3.28Å; Q47-I114 PolarHBondContact NE2-O 2.87Å; Q47-I114 PolarHBondContact OE1-O 3.36Å; Q47-N117 PolarHBondContact OE1-ND2 3.48Å
48R92.6Very high93.2Very high39 Ų3948.9 Ų48.915%0.14726%0.264CS..EExtended strand (participates in β ladder)trans-111.7149.7172.7-72.7171.8-177.9179.4-1.9109.7V67 V139 C162 L166 S168R48-V67 CarbonylContact C-O 3.5Å; R48-V67 WeakPolarHBondContact CA-O 3.5Å; R48-V139 HydrophobicContact CB-CG2 4.25Å; R48-V139 WeakPolarHBondContact O-CG2 3.37Å; R48-C162 PolarHBondContact NH2-O 2.85Å; R48-L166 HydrophobicContact CG-CD2 3.91Å; R48-L166 PolarHBondContact NH1-O 2.9Å; R48-S168 WeakPolarHBondContact CD-OG 3Å
49A93.1Very high93.5Very high4 Ų450.3 Ų50.33%0.03327%0.268CS..EExtended strand (participates in β ladder)trans-139.2157.5176.600000111.9A65 V67 I69 F106 I114A49-A65 CarbonylContact O-C 3.58Å; A49-A65 VanDerWaalsContact O-C 3.25Å; A49-V67 PolarHBondContact N-O 3.17Å; A49-V67 WeakPolarHBondContact O-CB 3.45Å; A49-V67 PolarHBondContact O-N 2.98Å; A49-I69 HydrophobicContact CB-CD1 3.83Å; A49-F106 HydrophobicContact CB-CD1 4.42Å; A49-F106 HydrophobicContact CB-CE1 3.62Å; A49-F106 HydrophobicContact CB-CZ 4.29Å; A49-I114 HydrophobicContact CB-CD1 3.53Å; A49-I114 HydrophobicContact CB-CG1 3.72Å
50F93.6Very high93.9Very high4 Ų453.1 Ų53.12%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-83130.1163.6176.9-89.3000108.7W52 A63 S64 A65 F106 V139 I140 L141 E142 V143 L145F50-W52 AromaticContact CE1-CD1 3.94Å; F50-W52 AromaticContact CE1-CE2 3.87Å; F50-W52 HydrophobicContact CE1-CZ2 4.28Å; F50-W52 AromaticContact CE1-NE1 3.39Å; F50-W52 AromaticContact CZ-CE2 3.87Å; F50-W52 AromaticContact CZ-CZ2 3.95Å; F50-W52 HydrophobicContact CZ-CZ2 3.95Å; F50-W52 AromaticContact CZ-NE1 3.88Å; F50-A63 HydrophobicContact CE2-CB 3.84Å; F50-A63 HydrophobicContact CZ-CB 3.67Å; F50-S64 CarbonylContact C-O 3.5Å; F50-S64 VanDerWaalsContact CA-O 3.31Å; F50-S64 WeakPolarHBondContact CA-O 3.33Å; F50-A65 HydrophobicContact CD2-CB 4.29Å; F50-F106 WeakPolarHBondContact O-CD1 3.46Å; F50-F106 WeakPolarHBondContact O-CE1 3.19Å; F50-V139 HydrophobicContact CB-CG1 3.83Å; F50-I140 WeakPolarHBondContact CB-O 3.47Å; F50-L141 HydrophobicContact CD2-CB 4.48Å; F50-L141 HydrophobicContact CD2-CG 4.36Å; F50-E142 HydrophobicContact CD1-CB 4.08Å; F50-E142 HydrophobicContact CD1-CG 3.74Å; F50-E142 HydrophobicContact CE1-CB 3.52Å; F50-E142 HydrophobicContact CE1-CG 3.64Å; F50-E142 WeakPolarHBondContact CE1-OE2 3.48Å; F50-E142 HydrophobicContact CZ-CB 3.96Å; F50-V143 HydrophobicContact CE2-CG1 4.04Å; F50-V143 HydrophobicContact CZ-CG1 3.85Å; F50-L145 HydrophobicContact CD2-CD1 4.32Å; F50-L145 HydrophobicContact CE2-CD1 4.09Å; F50-L145 HydrophobicContact CE2-CD2 4.37Å; F50-L145 HydrophobicContact CE2-CG 4.36Å
51G94.9Very high94.3Very high0 Ų047.1 Ų47.10%025%0.245CC..EExtended strand (participates in β ladder)trans-152157.4-179.900000112.2A63 S64G51-A63 CarbonylContact O-C 3.49Å; G51-A63 WeakPolarHBondContact O-CA 3.32Å; G51-S64 PolarHBondContact N-O 3.44Å; G51-S64 PolarHBondContact O-N 3.15Å
52W96.1Very high94.6Very high90 Ų9046.7 Ų46.734%0.34123%0.228SC..EExtended strand (participates in β ladder)trans-99.7156175.9-65.190.8000110.2F50 W62 A63 P104 E105 E142 V143F50-W52 AromaticContact CE1-CD1 3.94Å; F50-W52 AromaticContact CE1-CE2 3.87Å; F50-W52 HydrophobicContact CE1-CZ2 4.28Å; F50-W52 AromaticContact CE1-NE1 3.39Å; F50-W52 AromaticContact CZ-CE2 3.87Å; F50-W52 AromaticContact CZ-CZ2 3.95Å; F50-W52 HydrophobicContact CZ-CZ2 3.95Å; F50-W52 AromaticContact CZ-NE1 3.88Å; W52-W62 CarbonylContact C-O 3.55Å; W52-W62 WeakPolarHBondContact CA-O 3.46Å; W52-A63 HydrophobicContact CD2-CB 3.9Å; W52-A63 HydrophobicContact CE3-CB 3.64Å; W52-A63 HydrophobicContact CH2-CB 4.03Å; W52-A63 HydrophobicContact CZ2-CB 4.28Å; W52-A63 HydrophobicContact CZ3-CB 3.71Å; W52-P104 CarbonylContact O-C 3.52Å; W52-P104 WeakPolarHBondContact O-CA 3.27Å; W52-E105 HydrophobicContact CB-CB 4.43Å; W52-E105 PolarHBondContact N-O 2.98Å; W52-E105 PolarHBondContact O-N 3.16Å; W52-E142 PolarHBondContact NE1-OE2 3.36Å; W52-V143 HydrophobicContact CH2-CB 4.03Å; W52-V143 HydrophobicContact CH2-CG1 3.76Å; W52-V143 HydrophobicContact CH2-CG2 4.46Å; W52-V143 HydrophobicContact CZ2-CB 4.13Å; W52-V143 HydrophobicContact CZ2-CG1 3.99Å
53F95.9Very high94.5Very high1 Ų145.9 Ų45.90%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-134150.9174.3-64.1-90000108.2S61 W62 V67 Q91 E102 P104F53-S61 CarbonylContact O-C 3.56Å; F53-S61 WeakPolarHBondContact O-CA 3.22Å; F53-S61 WeakPolarHBondContact O-CB 3.47Å; F53-W62 HydrophobicContact CB-CD2 3.67Å; F53-W62 HydrophobicContact CB-CE3 4.05Å; F53-W62 HydrophobicContact CB-CG 4.27Å; F53-W62 HydrophobicContact CB-CH2 3.78Å; F53-W62 HydrophobicContact CB-CZ2 3.38Å; F53-W62 HydrophobicContact CB-CZ3 4.09Å; F53-W62 HydrophobicContact CD1-CZ2 4.4Å; F53-W62 AromaticContact CD2-CD1 3.98Å; F53-W62 AromaticContact CD2-NE1 3.58Å; F53-W62 AromaticContact CG-CE2 3.81Å; F53-W62 AromaticContact CG-CZ2 3.92Å; F53-W62 HydrophobicContact CG-CZ2 3.92Å; F53-W62 AromaticContact CG-NE1 3.74Å; F53-W62 PolarHBondContact N-O 2.96Å; F53-W62 PolarHBondContact O-N 3.45Å; F53-V67 HydrophobicContact CE2-CG2 3.71Å; F53-V67 HydrophobicContact CZ-CG1 4.34Å; F53-V67 HydrophobicContact CZ-CG2 3.68Å; F53-Q91 HydrophobicContact CD1-CB 4Å; F53-Q91 HydrophobicContact CD1-CG 4.47Å; F53-Q91 HydrophobicContact CD2-CB 4.43Å; F53-Q91 HydrophobicContact CD2-CG 4.48Å; F53-Q91 HydrophobicContact CE1-CB 3.84Å; F53-Q91 HydrophobicContact CE1-CG 3.87Å; F53-Q91 HydrophobicContact CE2-CB 4.3Å; F53-Q91 HydrophobicContact CE2-CG 3.9Å; F53-Q91 HydrophobicContact CG-CB 4.29Å; F53-Q91 HydrophobicContact CZ-CB 4Å; F53-Q91 HydrophobicContact CZ-CG 3.56Å; F53-E102 HydrophobicContact CD1-CB 4.39Å; F53-E102 VanDerWaalsContact CD1-O 3.29Å; F53-E102 WeakPolarHBondContact CD1-O 3.23Å; F53-E102 WeakPolarHBondContact CE1-O 2.86Å; F53-P104 HydrophobicContact CD1-CB 4.41Å; F53-P104 HydrophobicContact CE1-CB 3.69Å; F53-P104 HydrophobicContact CE1-CG 4.35Å; F53-P104 HydrophobicContact CZ-CB 3.75Å
54R96.1Very high94.5Very high106 Ų10642.1 Ų42.140%0.421%0.214SC..EExtended strand (participates in β ladder)trans-136123.1174.8-176.1172.4176.2170.30.5109.6S56R54-S56 PolarHBondContact O-N 2.85Å
55C96.3Very high94.4Very high0 Ų040.5 Ų40.50%021%0.208CC..  trans-69.4122.1178.7-176.30000109.9S57 C58 Q59 R60 W62 C93C55-S57 PolarHBondContact O-N 3.4Å; C55-S57 PolarHBondContact SG-N 3.32Å; C55-S57 VanDerWaalsContact SG-N 3.43Å; C55-C58 PolarHBondContact SG-N 3.42Å; C55-C58 VanDerWaalsContact SG-N 3.38Å; C55-C58 VanDerWaalsContact SG-SG 3.64Å; C55-Q59 WeakPolarHBondContact O-CA 3.23Å; C55-Q59 PolarHBondContact O-N 3.45Å; C55-R60 PolarHBondContact N-O 2.99Å; C55-W62 HydrophobicContact CB-CH2 4.32Å; C55-W62 HydrophobicContact CB-CZ3 3.83Å; C55-C93 HydrophobicContact CB-CB 3.91Å; C55-C93 VanDerWaalsContact SG-CB 3.55Å
56S94.8Very high94.2Very high61 Ų6142.3 Ų42.343%0.42722%0.217SC..THydrogen-bonded Turntrans-60.6-31.2173.754.60000112.5R54 Q59 Q100 E102R54-S56 PolarHBondContact O-N 2.85Å; S56-Q59 PolarHBondContact O-NE2 2.9Å; S56-Q100 PolarHBondContact OG-NE2 2.69Å; S56-Q100 VanDerWaalsContact OG-NE2 3.08Å; S56-E102 WeakPolarHBondContact CB-OE1 3.46Å; S56-E102 PolarHBondContact N-OE1 3.31Å; S56-E102 PolarHBondContact OG-OE1 3.26Å
57S94.8Very high94.3Very high94 Ų9441.2 Ų41.266%0.65721%0.212SC*.THydrogen-bonded Turntrans-83.4-60.7-178.7171.70000113.3C55C55-S57 PolarHBondContact O-N 3.4Å; C55-S57 PolarHBondContact SG-N 3.32Å; C55-S57 VanDerWaalsContact SG-N 3.43Å
58C95.6Very high94.4Very high45 Ų4541.2 Ų41.230%0.30421%0.212SC..THydrogen-bonded Turntrans-100.73.6-173.672.40000114.6C55 R60 C93 C96C55-C58 PolarHBondContact SG-N 3.42Å; C55-C58 VanDerWaalsContact SG-N 3.38Å; C55-C58 VanDerWaalsContact SG-SG 3.64Å; C58-R60 PolarHBondContact O-N 3.05Å; C58-C93 VanDerWaalsContact SG-SG 3.62Å; C58-C96 VanDerWaalsContact CB-SG 3.59Å; C58-C96 PolarHBondContact SG-SG 3.24Å
59Q95.1Very high94.6Very high97 Ų9739.5 Ų39.545%0.45321%0.205SC..  trans61.34177.3-57.5-60.8-44.800115.8C55 S56C55-Q59 WeakPolarHBondContact O-CA 3.23Å; C55-Q59 PolarHBondContact O-N 3.45Å; S56-Q59 PolarHBondContact O-NE2 2.9Å
60R94.8Very high94.7Very high122 Ų12239.3 Ų39.346%0.4620%0.204SC..  trans-64.5139.8172.1-71.6-173.765.9-168.5-1.1110.2C55 C58 W62C55-R60 PolarHBondContact N-O 2.99Å; C58-R60 PolarHBondContact O-N 3.05Å; R60-W62 WeakPolarHBondContact O-CZ3 2.9Å
61S95.4Very high94.8Very high71 Ų7139.1 Ų39.150%0.49720%0.203SC..EExtended strand (participates in β ladder)trans-108.2150.8169.7-55.70000111.3F53F53-S61 CarbonylContact O-C 3.56Å; F53-S61 WeakPolarHBondContact O-CA 3.22Å; F53-S61 WeakPolarHBondContact O-CB 3.47Å
62W95.3Very high94.9Very high42 Ų4239.5 Ų39.516%0.15921%0.205CC..EExtended strand (participates in β ladder)trans-148163.1172.766.3100.3000109.5W52 F53 C55 R60 Q91 R92 C93 E102W52-W62 CarbonylContact C-O 3.55Å; W52-W62 WeakPolarHBondContact CA-O 3.46Å; F53-W62 HydrophobicContact CB-CD2 3.67Å; F53-W62 HydrophobicContact CB-CE3 4.05Å; F53-W62 HydrophobicContact CB-CG 4.27Å; F53-W62 HydrophobicContact CB-CH2 3.78Å; F53-W62 HydrophobicContact CB-CZ2 3.38Å; F53-W62 HydrophobicContact CB-CZ3 4.09Å; F53-W62 HydrophobicContact CD1-CZ2 4.4Å; F53-W62 AromaticContact CD2-CD1 3.98Å; F53-W62 AromaticContact CD2-NE1 3.58Å; F53-W62 AromaticContact CG-CE2 3.81Å; F53-W62 AromaticContact CG-CZ2 3.92Å; F53-W62 HydrophobicContact CG-CZ2 3.92Å; F53-W62 AromaticContact CG-NE1 3.74Å; F53-W62 PolarHBondContact N-O 2.96Å; F53-W62 PolarHBondContact O-N 3.45Å; C55-W62 HydrophobicContact CB-CH2 4.32Å; C55-W62 HydrophobicContact CB-CZ3 3.83Å; R60-W62 WeakPolarHBondContact O-CZ3 2.9Å; W62-Q91 HydrophobicContact CZ2-CB 4.07Å; W62-R92 WeakPolarHBondContact CZ2-O 3.32Å; W62-C93 HydrophobicContact CH2-CB 3.99Å; W62-C93 HydrophobicContact CZ3-CB 4.23Å; W62-E102 HydrophobicContact CH2-CB 4.29Å; W62-E102 HydrophobicContact CH2-CG 3.97Å
63A94.9Very high95Very high21 Ų2135.2 Ų35.217%0.17419%0.189CC..EExtended strand (participates in β ladder)trans-118.1157.6177.500000111.1F50 G51 W52 V143 L145F50-A63 HydrophobicContact CE2-CB 3.84Å; F50-A63 HydrophobicContact CZ-CB 3.67Å; G51-A63 CarbonylContact O-C 3.49Å; G51-A63 WeakPolarHBondContact O-CA 3.32Å; W52-A63 HydrophobicContact CD2-CB 3.9Å; W52-A63 HydrophobicContact CE3-CB 3.64Å; W52-A63 HydrophobicContact CH2-CB 4.03Å; W52-A63 HydrophobicContact CZ2-CB 4.28Å; W52-A63 HydrophobicContact CZ3-CB 3.71Å; A63-V143 HydrophobicContact CB-CG1 4.04Å; A63-L145 HydrophobicContact CB-CD2 3.77Å
64S93.4Very high95Very high9 Ų935.9 Ų35.96%0.06319%0.193CC..EExtended strand (participates in β ladder)trans-143.2134.7175178.40000109.7F50 G51 Q66 Q91F50-S64 CarbonylContact C-O 3.5Å; F50-S64 VanDerWaalsContact CA-O 3.31Å; F50-S64 WeakPolarHBondContact CA-O 3.33Å; G51-S64 PolarHBondContact N-O 3.44Å; G51-S64 PolarHBondContact O-N 3.15Å; S64-Q66 VanDerWaalsContact C-N 3.27Å; S64-Q66 PolarHBondContact OG-N 3.06Å; S64-Q66 VanDerWaalsContact OG-N 3.11Å; S64-Q91 PolarHBondContact OG-NE2 2.78Å; S64-Q91 VanDerWaalsContact OG-NE2 3.07Å
65A90.6Very high95Very high8 Ų832 Ų327%0.06618%0.179CC..EExtended strand (participates in β ladder)trans-85.60.9169.500000113.2A49 F50 L141 L145 M170A49-A65 CarbonylContact O-C 3.58Å; A49-A65 VanDerWaalsContact O-C 3.25Å; F50-A65 HydrophobicContact CD2-CB 4.29Å; A65-L141 HydrophobicContact CB-CD2 4.14Å; A65-L141 HydrophobicContact CB-CG 4.19Å; A65-L145 HydrophobicContact CB-CD1 3.62Å; A65-L145 VanDerWaalsContact N-CD1 3.33Å; A65-M170 HydrophobicContact CB-CE 3.71Å; A65-M170 HydrophobicContact CB-SD 3.67Å; A65-M170 WeakPolarHBondContact O-CE 3.21Å
66Q90.6Very high94.9Very high49 Ų4934.6 Ų34.623%0.22919%0.191CC..EExtended strand (participates in β ladder)trans-122.734.8-173.5-62.4-163.12600112.4S64 Q68 H149 M170S64-Q66 VanDerWaalsContact C-N 3.27Å; S64-Q66 PolarHBondContact OG-N 3.06Å; S64-Q66 VanDerWaalsContact OG-N 3.11Å; Q66-Q68 PolarHBondContact O-N 3.21Å; Q66-Q68 PolarHBondContact O-NE2 3.35Å; Q66-H149 PolarHBondContact OE1-CD2 3.26Å; Q66-H149 VanDerWaalsContact OE1-CD2 3.25Å; Q66-M170 HydrophobicContact CG-CE 3.79Å
67V94.2Very high94.6Very high1 Ų138.3 Ų38.31%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-65.9118.3169.7-173.30000107.7R48 A49 F53 P104 F106R48-V67 CarbonylContact C-O 3.5Å; R48-V67 WeakPolarHBondContact CA-O 3.5Å; A49-V67 PolarHBondContact N-O 3.17Å; A49-V67 WeakPolarHBondContact O-CB 3.45Å; A49-V67 PolarHBondContact O-N 2.98Å; F53-V67 HydrophobicContact CE2-CG2 3.71Å; F53-V67 HydrophobicContact CZ-CG1 4.34Å; F53-V67 HydrophobicContact CZ-CG2 3.68Å; V67-P104 HydrophobicContact CG1-CB 3.76Å; V67-P104 HydrophobicContact CG1-CG 3.74Å; V67-P104 HydrophobicContact CG2-CB 4.36Å; V67-F106 HydrophobicContact CB-CE1 4.4Å; V67-F106 HydrophobicContact CB-CZ 4.33Å; V67-F106 HydrophobicContact CG1-CE1 4.35Å; V67-F106 HydrophobicContact CG1-CZ 3.8Å
68Q95.2Very high94.3Very high2 Ų243.8 Ų43.81%0.00921%0.207CC..EExtended strand (participates in β ladder)trans-80.7144.2176.8-59-54.5-4600109.9Q66 F89 A156 C162Q66-Q68 PolarHBondContact O-N 3.21Å; Q66-Q68 PolarHBondContact O-NE2 3.35Å; Q68-F89 HydrophobicContact CB-CB 4.31Å; Q68-F89 HydrophobicContact CB-CD2 3.76Å; Q68-F89 HydrophobicContact CB-CE2 4.49Å; Q68-F89 HydrophobicContact CB-CG 4.3Å; Q68-F89 WeakPolarHBondContact O-CD2 3.49Å; Q68-F89 PolarHBondContact O-N 2.96Å; Q68-F89 VanDerWaalsContact O-N 3.14Å; Q68-A156 HydrophobicContact CB-CB 3.64Å; Q68-A156 HydrophobicContact CG-CB 3.34Å; Q68-C162 WeakPolarHBondContact CG-SG 3.49Å; Q68-C162 PolarHBondContact NE2-SG 2.83Å; Q68-C162 VanDerWaalsContact NE2-SG 3.41Å
69I95.6Very high94.2Very high2 Ų244.6 Ų44.61%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-132.3125.1174.9-56.5-179.3000107.2Q46 Q47 A49 M86 R87 L88 F106 I114Q46-I69 WeakPolarHBondContact CA-O 3.28Å; Q47-I69 HydrophobicContact CG-CB 3.81Å; Q47-I69 HydrophobicContact CG-CD1 4.3Å; Q47-I69 HydrophobicContact CG-CG1 4.48Å; Q47-I69 HydrophobicContact CG-CG2 4.19Å; Q47-I69 PolarHBondContact N-O 2.96Å; Q47-I69 PolarHBondContact O-N 3.28Å; A49-I69 HydrophobicContact CB-CD1 3.83Å; I69-M86 HydrophobicContact CG2-CE 4.3Å; I69-M86 HydrophobicContact CG2-CG 3.87Å; I69-M86 HydrophobicContact CG2-SD 4.09Å; I69-R87 WeakPolarHBondContact CA-O 3.26Å; I69-L88 HydrophobicContact CB-CD2 4.37Å; I69-L88 HydrophobicContact CD1-CD2 3.82Å; I69-L88 HydrophobicContact CG1-CD2 3.73Å; I69-L88 HydrophobicContact CG2-CD2 3.96Å; I69-F106 HydrophobicContact CD1-CZ 4.22Å; I69-I114 HydrophobicContact CD1-CB 4.41Å; I69-I114 HydrophobicContact CD1-CD1 3.79Å; I69-I114 HydrophobicContact CD1-CG1 3.94Å; I69-I114 HydrophobicContact CD1-CG2 3.54Å
70L95.5Very high94.1Very high0 Ų042 Ų420%020%0.203CC..EExtended strand (participates in β ladder)trans-111.2131175.7174.967000108.8L33 L35 Q44 Q46 M86 R87 F89L33-L70 HydrophobicContact CB-CD2 4.41Å; L33-L70 HydrophobicContact CD2-CD2 4.17Å; L33-L70 HydrophobicContact CD2-CG 3.94Å; L33-L70 HydrophobicContact CG-CD2 4.12Å; L33-L70 HydrophobicContact CG-CG 4.44Å; L35-L70 HydrophobicContact CD1-CD1 4.21Å; Q44-L70 HydrophobicContact CG-CD1 3.55Å; Q46-L70 HydrophobicContact CG-CD1 3.76Å; L70-M86 CarbonylContact O-C 3.57Å; L70-M86 WeakPolarHBondContact O-CA 3.26Å; L70-R87 PolarHBondContact N-O 3.37Å; L70-R87 PolarHBondContact O-N 2.95Å; L70-F89 HydrophobicContact CB-CE2 3.66Å; L70-F89 HydrophobicContact CB-CZ 4.19Å; L70-F89 HydrophobicContact CD2-CZ 4.38Å
71C96.5Very high94.2Very high0 Ų040.5 Ų40.50%020%0.202CC..EExtended strand (participates in β ladder)trans-124.7132.9175.5-61.30000110.1Q44 Y45 V84 R85 M86 L118Q44-C71 CarbonylContact C-O 3.52Å; Q44-C71 WeakPolarHBondContact CA-O 3.44Å; Y45-C71 HydrophobicContact CD1-CB 4.33Å; Y45-C71 PolarHBondContact N-O 2.83Å; Y45-C71 PolarHBondContact O-N 3.49Å; C71-V84 HydrophobicContact CB-CG1 4.22Å; C71-R85 CarbonylContact C-O 3.53Å; C71-R85 VanDerWaalsContact CA-O 3.23Å; C71-R85 WeakPolarHBondContact CA-O 3.48Å; C71-M86 WeakPolarHBondContact SG-CE 3.36Å; C71-L118 HydrophobicContact CB-CD1 4.14Å
72H96.9Very high94.2Very high9 Ų937.1 Ų37.14%0.04218%0.179CC..EExtended strand (participates in β ladder)trans-103.3131.5162-65.9-179.1000107.7L33 Q34 L38 W42 K43 Q44 V84 R85L33-H72 HydrophobicContact CD1-CB 4.16Å; L33-H72 VanDerWaalsContact CD1-ND1 3.27Å; L33-H72 WeakPolarHBondContact CD1-ND1 3.47Å; L33-H72 HydrophobicContact CD2-CB 4.3Å; Q34-H72 PolarHBondContact O-CE1 3.36Å; Q34-H72 PolarHBondContact O-NE2 2.87Å; L38-H72 HydrophobicContact CD2-CB 4.27Å; W42-H72 HydrophobicContact CE3-CB 3.61Å; W42-H72 HydrophobicContact CZ3-CB 4.09Å; W42-H72 WeakPolarHBondContact CZ3-O 3.47Å; K43-H72 CarbonylContact O-C 3.34Å; K43-H72 WeakPolarHBondContact O-CA 3.41Å; Q44-H72 PolarHBondContact OE1-NE2 2.78Å; H72-V84 CarbonylContact O-C 3.59Å; H72-V84 WeakPolarHBondContact O-CA 3.32Å; H72-R85 PolarHBondContact N-O 3.14Å; H72-R85 PolarHBondContact O-N 3.07Å
73T97.4Very high94.3Very high0 Ų039.1 Ų39.10%019%0.19CC..EExtended strand (participates in β ladder)trans-121143.1-179.961.50000109.6W42 K43 Q83 V84 L118 I122 Y126W42-T73 CarbonylContact C-O 3.54Å; W42-T73 VanDerWaalsContact CA-O 3.3Å; W42-T73 WeakPolarHBondContact CA-O 3.28Å; W42-T73 VanDerWaalsContact CE3-C 3.49Å; K43-T73 PolarHBondContact N-O 3.26Å; K43-T73 PolarHBondContact O-N 2.93Å; K43-T73 PolarHBondContact O-OG1 2.85Å; T73-Q83 CarbonylContact C-O 3.58Å; T73-Q83 VanDerWaalsContact CA-O 3.28Å; T73-Q83 WeakPolarHBondContact CA-O 3.38Å; T73-V84 HydrophobicContact CG2-CG1 4.25Å; T73-V84 HydrophobicContact CG2-CG2 4.13Å; T73-L118 HydrophobicContact CG2-CD1 4.2Å; T73-I122 HydrophobicContact CG2-CG1 4.32Å; T73-Y126 VanDerWaalsContact C-OH 3.32Å; T73-Y126 PolarHBondContact O-OH 3.05Å; T73-Y126 WeakPolarHBondContact OG1-CE2 3.44Å; T73-Y126 PolarHBondContact OG1-OH 2.82Å
74S96.3Very high94.5Very high15 Ų1538.2 Ų38.211%0.10518%0.182CC..EExtended strand (participates in β ladder)trans-135.2149.8169.7710000109.6W25 G82 Q83W25-S74 WeakPolarHBondContact CH2-O 3.42Å; W25-S74 WeakPolarHBondContact CZ3-O 3.5Å; S74-G82 CarbonylContact O-C 3.5Å; S74-G82 VanDerWaalsContact O-CA 3.28Å; S74-G82 WeakPolarHBondContact O-CA 3.23Å; S74-Q83 PolarHBondContact N-O 2.76Å; S74-Q83 PolarHBondContact O-N 3.38Å
75W95.9Very high94.7Very high25 Ų2543 Ų4310%0.09520%0.198CC..EExtended strand (participates in β ladder)trans-129.1132.1177175-110.2000109.9W22 A23 W25 H77 S80 Q81 Y126 Y127W22-W75 HydrophobicContact CZ3-CH2 4.24Å; W22-W75 HydrophobicContact CZ3-CZ2 4.17Å; A23-W75 HydrophobicContact CB-CH2 3.8Å; A23-W75 HydrophobicContact CB-CZ3 4.1Å; W25-W75 AromaticContact CE2-CE3 3.71Å; W25-W75 AromaticContact CE2-CZ3 3.88Å; W25-W75 HydrophobicContact CH2-CB 4.24Å; W25-W75 HydrophobicContact CH2-CE3 4.12Å; W25-W75 HydrophobicContact CZ2-CB 4.38Å; W25-W75 HydrophobicContact CZ2-CD2 4.11Å; W25-W75 AromaticContact CZ2-CE3 3.35Å; W25-W75 HydrophobicContact CZ2-CE3 3.35Å; W25-W75 AromaticContact CZ2-CZ3 3.99Å; W25-W75 HydrophobicContact CZ2-CZ3 3.99Å; W25-W75 AromaticContact NE1-CE3 3.89Å; W25-W75 AromaticContact NE1-CZ3 3.58Å; W75-H77 AromaticContact CD1-CD2 3.66Å; W75-H77 AromaticContact CD1-CE1 3.42Å; W75-H77 VanDerWaalsContact CD1-CE1 3.42Å; W75-H77 AromaticContact CD1-CG 3.79Å; W75-H77 AromaticContact CD1-ND1 3.65Å; W75-H77 AromaticContact CD1-NE2 3.42Å; W75-H77 AromaticContact NE1-CD2 3.97Å; W75-H77 AromaticContact NE1-CE1 3.43Å; W75-H77 PolarHBondContact NE1-CE1 3.08Å; W75-H77 AromaticContact NE1-CG 3.61Å; W75-H77 AromaticContact NE1-ND1 3.24Å; W75-H77 PolarHBondContact NE1-ND1 2.77Å; W75-H77 AromaticContact NE1-NE2 3.87Å; W75-S80 VanDerWaalsContact CH2-O 3.26Å; W75-S80 WeakPolarHBondContact CH2-O 3.47Å; W75-S80 VanDerWaalsContact CZ3-C 3.43Å; W75-S80 WeakPolarHBondContact CZ3-O 3.34Å; W75-Q81 VanDerWaalsContact CE3-C 3.44Å; W75-Y126 HydrophobicContact CB-CD1 3.26Å; W75-Y126 HydrophobicContact CB-CD2 4.46Å; W75-Y126 HydrophobicContact CB-CE1 3.48Å; W75-Y126 VanDerWaalsContact CB-CE1 3.48Å; W75-Y126 HydrophobicContact CB-CG 3.79Å; W75-Y126 AromaticContact CG-CD1 3.92Å; W75-Y126 HydrophobicContact CG-CD1 3.92Å; W75-Y126 HydrophobicContact CG-CG 4.23Å; W75-Y127 HydrophobicContact CH2-CE1 4.06Å; W75-Y127 AromaticContact CH2-CZ 3.88Å; W75-Y127 WeakPolarHBondContact CH2-OH 3.23Å; W75-Y127 AromaticContact CZ2-CE1 3.84Å; W75-Y127 HydrophobicContact CZ2-CE1 3.84Å; W75-Y127 WeakPolarHBondContact CZ2-OH 3.39Å; W75-Y127 WeakPolarHBondContact CZ3-OH 3.3Å
76E94.2Very high95Very high53 Ų5342.6 Ų42.625%0.24820%0.195CC..EExtended strand (participates in β ladder)trans-110.2111.8178.6-168.649.7-92.500111.2W78 T79 S80 Q81E76-W78 VanDerWaalsContact CD-CZ3 3.44Å; E76-W78 HydrophobicContact CG-CD2 3.78Å; E76-W78 HydrophobicContact CG-CE3 4.44Å; E76-W78 HydrophobicContact CG-CG 4.12Å; E76-W78 HydrophobicContact CG-CH2 4.32Å; E76-W78 HydrophobicContact CG-CZ2 3.69Å; E76-W78 WeakPolarHBondContact OE1-CH2 3.27Å; E76-W78 VanDerWaalsContact OE1-CZ2 3.27Å; E76-W78 WeakPolarHBondContact OE1-CZ2 3.47Å; E76-W78 WeakPolarHBondContact OE1-CZ3 3.23Å; E76-W78 WeakPolarHBondContact OE2-CH2 3.43Å; E76-W78 WeakPolarHBondContact OE2-CZ2 3.35Å; E76-T79 WeakPolarHBondContact CG-OG1 3.28Å; E76-S80 VanDerWaalsContact O-CA 3.32Å; E76-S80 WeakPolarHBondContact O-CA 3.26Å; E76-S80 PolarHBondContact O-N 2.88Å; E76-Q81 WeakPolarHBondContact CA-O 3.45Å; E76-Q81 VanDerWaalsContact CB-O 3.28Å; E76-Q81 WeakPolarHBondContact CB-O 3.42Å; E76-Q81 PolarHBondContact N-O 3.08Å; E76-Q81 PolarHBondContact O-N 3.16Å; E76-Q81 VanDerWaalsContact O-N 3.15Å
77H87.7Confident95.3Very high139 Ų13941.8 Ų41.864%0.64419%0.19SC*.THydrogen-bonded Turntrans-72.3-38.6-170.9-74.5-85.7000112.2W75 S80W75-H77 AromaticContact CD1-CD2 3.66Å; W75-H77 AromaticContact CD1-CE1 3.42Å; W75-H77 VanDerWaalsContact CD1-CE1 3.42Å; W75-H77 AromaticContact CD1-CG 3.79Å; W75-H77 AromaticContact CD1-ND1 3.65Å; W75-H77 AromaticContact CD1-NE2 3.42Å; W75-H77 AromaticContact NE1-CD2 3.97Å; W75-H77 AromaticContact NE1-CE1 3.43Å; W75-H77 PolarHBondContact NE1-CE1 3.08Å; W75-H77 AromaticContact NE1-CG 3.61Å; W75-H77 AromaticContact NE1-ND1 3.24Å; W75-H77 PolarHBondContact NE1-ND1 2.77Å; W75-H77 AromaticContact NE1-NE2 3.87Å; H77-S80 PolarHBondContact O-N 2.97Å
78W90.1Very high95.4Very high209 Ų20942 Ų4279%0.79219%0.191SC*.THydrogen-bonded Turntrans-74.2-30.2-173.85679.1000113.3E76E76-W78 VanDerWaalsContact CD-CZ3 3.44Å; E76-W78 HydrophobicContact CG-CD2 3.78Å; E76-W78 HydrophobicContact CG-CE3 4.44Å; E76-W78 HydrophobicContact CG-CG 4.12Å; E76-W78 HydrophobicContact CG-CH2 4.32Å; E76-W78 HydrophobicContact CG-CZ2 3.69Å; E76-W78 WeakPolarHBondContact OE1-CH2 3.27Å; E76-W78 VanDerWaalsContact OE1-CZ2 3.27Å; E76-W78 WeakPolarHBondContact OE1-CZ2 3.47Å; E76-W78 WeakPolarHBondContact OE1-CZ3 3.23Å; E76-W78 WeakPolarHBondContact OE2-CH2 3.43Å; E76-W78 WeakPolarHBondContact OE2-CZ2 3.35Å
79T92.6Very high95.5Very high63 Ų6342 Ų4239%0.38719%0.191SC..THydrogen-bonded Turntrans-99.2-5.6175.554.90000113.4E76 Q81E76-T79 WeakPolarHBondContact CG-OG1 3.28Å; T79-Q81 PolarHBondContact O-N 3.02Å; T79-Q81 WeakPolarHBondContact OG1-CB 3.31Å; T79-Q81 WeakPolarHBondContact OG1-CG 3.26Å
80S93.1Very high95.5Very high41 Ų4141.9 Ų41.929%0.28719%0.191SC..THydrogen-bonded Turntrans51.841.9-169.1-65.10000112.6K24 W75 E76 H77K24-S80 PolarHBondContact N-O 2.99Å; K24-S80 VanDerWaalsContact N-O 3.08Å; W75-S80 VanDerWaalsContact CH2-O 3.26Å; W75-S80 WeakPolarHBondContact CH2-O 3.47Å; W75-S80 VanDerWaalsContact CZ3-C 3.43Å; W75-S80 WeakPolarHBondContact CZ3-O 3.34Å; E76-S80 VanDerWaalsContact O-CA 3.32Å; E76-S80 WeakPolarHBondContact O-CA 3.26Å; E76-S80 PolarHBondContact O-N 2.88Å; H77-S80 PolarHBondContact O-N 2.97Å
81Q96.2Very high95.6Very high91 Ų9142.2 Ų42.243%0.42519%0.192SC..EExtended strand (participates in β ladder)trans-115.2133.7-178.8-66.4179.416.500111.8K24 W75 E76 T79K24-Q81 HydrophobicContact CB-CG 4.35Å; K24-Q81 CarbonylContact O-C 3.25Å; K24-Q81 VanDerWaalsContact O-CA 3.26Å; K24-Q81 WeakPolarHBondContact O-CA 3.41Å; W75-Q81 VanDerWaalsContact CE3-C 3.44Å; E76-Q81 WeakPolarHBondContact CA-O 3.45Å; E76-Q81 VanDerWaalsContact CB-O 3.28Å; E76-Q81 WeakPolarHBondContact CB-O 3.42Å; E76-Q81 PolarHBondContact N-O 3.08Å; E76-Q81 PolarHBondContact O-N 3.16Å; E76-Q81 VanDerWaalsContact O-N 3.15Å; T79-Q81 PolarHBondContact O-N 3.02Å; T79-Q81 WeakPolarHBondContact OG1-CB 3.31Å; T79-Q81 WeakPolarHBondContact OG1-CG 3.26Å
82G97.1Very high95.6Very high1 Ų146.9 Ų46.91%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-116.7151.6173.900000112.2K24 W25 T26 S74K24-G82 PolarHBondContact O-N 3.21Å; W25-G82 CarbonylContact C-O 3.56Å; W25-G82 VanDerWaalsContact CA-O 3.31Å; W25-G82 WeakPolarHBondContact CA-O 3.36Å; W25-G82 VanDerWaalsContact CE3-C 3.47Å; W25-G82 VanDerWaalsContact CE3-CA 3.46Å; T26-G82 PolarHBondContact N-O 3.2Å; T26-G82 PolarHBondContact OG1-O 3.47Å; S74-G82 CarbonylContact O-C 3.5Å; S74-G82 VanDerWaalsContact O-CA 3.28Å; S74-G82 WeakPolarHBondContact O-CA 3.23Å
83Q97.4Very high95.6Very high84 Ų8446.6 Ų46.639%0.39321%0.209SC..EExtended strand (participates in β ladder)trans-130.7142.1177-59.9178.468.200109.7T26 W42 T73 S74T26-Q83 CarbonylContact O-C 3.53Å; W42-Q83 HydrophobicContact CH2-CB 3.93Å; W42-Q83 HydrophobicContact CZ3-CB 4.48Å; T73-Q83 CarbonylContact C-O 3.58Å; T73-Q83 VanDerWaalsContact CA-O 3.28Å; T73-Q83 WeakPolarHBondContact CA-O 3.38Å; S74-Q83 PolarHBondContact N-O 2.76Å; S74-Q83 PolarHBondContact O-N 3.38Å
84V98Very high95.4Very high1 Ų152.6 Ų52.61%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-125.8127.3171.4-173.10000108.5F12 W25 T26 L27 K28 C71 H72 T73 L118 I122F12-V84 HydrophobicContact CE1-CG2 4.5Å; F12-V84 HydrophobicContact CE2-CG2 4.4Å; F12-V84 HydrophobicContact CZ-CG2 3.84Å; W25-V84 HydrophobicContact CE3-CG2 3.85Å; W25-V84 HydrophobicContact CZ3-CG2 4.08Å; T26-V84 WeakPolarHBondContact O-CB 3.25Å; T26-V84 PolarHBondContact O-N 3.23Å; L27-V84 CarbonylContact C-O 3.58Å; L27-V84 HydrophobicContact CD1-CB 3.94Å; L27-V84 HydrophobicContact CD1-CG1 3.74Å; K28-V84 PolarHBondContact N-O 2.9Å; C71-V84 HydrophobicContact CB-CG1 4.22Å; H72-V84 CarbonylContact O-C 3.59Å; H72-V84 WeakPolarHBondContact O-CA 3.32Å; T73-V84 HydrophobicContact CG2-CG1 4.25Å; T73-V84 HydrophobicContact CG2-CG2 4.13Å; V84-L118 HydrophobicContact CG1-CD1 4.15Å; V84-L118 HydrophobicContact CG1-CD2 3.91Å; V84-L118 HydrophobicContact CG2-CD2 4.43Å; V84-I122 HydrophobicContact CG2-CD1 3.81Å
85R97.4Very high95.3Very high110 Ų11059 Ų5942%0.41526%0.263SS..EExtended strand (participates in β ladder)trans-106.6132.1162.6-63.5-174.8-173.3-175.44.3108.2K28 D30 L33 W42 C71 H72K28-R85 CarbonylContact O-C 3.59Å; K28-R85 WeakPolarHBondContact O-CA 3.3Å; D30-R85 HydrophobicContact CB-CB 4.28Å; D30-R85 IonicContact OD2-NH1 3.93Å; L33-R85 HydrophobicContact CD1-CB 3.94Å; L33-R85 HydrophobicContact CD2-CB 4.36Å; L33-R85 WeakPolarHBondContact CD2-O 3.49Å; W42-R85 HydrophobicContact CH2-CG 3.95Å; W42-R85 HydrophobicContact CZ3-CB 4.47Å; W42-R85 HydrophobicContact CZ3-CG 4.01Å; C71-R85 CarbonylContact C-O 3.53Å; C71-R85 VanDerWaalsContact CA-O 3.23Å; C71-R85 WeakPolarHBondContact CA-O 3.48Å; H72-R85 PolarHBondContact N-O 3.14Å; H72-R85 PolarHBondContact O-N 3.07Å
86M97.1Very high95.2Very high0 Ų059.1 Ų59.10%027%0.267CS..EExtended strand (participates in β ladder)trans-128.9135.2-174.5177.1-175.3-73.900111W8 L27 K28 L29 D30 I69 L70 C71 L88 L115 L118W8-M86 HydrophobicContact CE3-SD 3.89Å; W8-M86 HydrophobicContact CZ3-CE 4.11Å; W8-M86 HydrophobicContact CZ3-SD 3.51Å; W8-M86 VanDerWaalsContact CZ3-SD 3.51Å; L27-M86 HydrophobicContact CD1-CB 4.25Å; L27-M86 HydrophobicContact CD1-CE 3.81Å; L27-M86 HydrophobicContact CD1-SD 4.43Å; K28-M86 PolarHBondContact O-N 2.89Å; L29-M86 CarbonylContact C-O 3.54Å; L29-M86 VanDerWaalsContact CA-O 3.27Å; L29-M86 WeakPolarHBondContact CA-O 3.32Å; L29-M86 HydrophobicContact CD2-CB 4.08Å; L29-M86 HydrophobicContact CD2-CG 4.02Å; L29-M86 WeakPolarHBondContact CD2-O 3.05Å; L29-M86 HydrophobicContact CD2-SD 4.13Å; D30-M86 PolarHBondContact N-O 3.35Å; I69-M86 HydrophobicContact CG2-CE 4.3Å; I69-M86 HydrophobicContact CG2-CG 3.87Å; I69-M86 HydrophobicContact CG2-SD 4.09Å; L70-M86 CarbonylContact O-C 3.57Å; L70-M86 WeakPolarHBondContact O-CA 3.26Å; C71-M86 WeakPolarHBondContact SG-CE 3.36Å; M86-L88 HydrophobicContact CG-CD2 4.29Å; M86-L88 HydrophobicContact SD-CD2 4Å; M86-L115 HydrophobicContact CE-CD2 4.22Å; M86-L118 HydrophobicContact CE-CD2 3.67Å
87R96.6Very high94.9Very high31 Ų3161.3 Ų61.312%0.11729%0.288CS..EExtended strand (participates in β ladder)trans-116.8131.9170.1-175.6172.7177.1168.16110.1D30 G31 L33 I69 L70 F89 E155D30-R87 VanDerWaalsContact O-CB 3.32Å; D30-R87 WeakPolarHBondContact O-CB 3.31Å; G31-R87 WeakPolarHBondContact O-CD 3.3Å; G31-R87 PolarHBondContact O-NE 2.81Å; G31-R87 VanDerWaalsContact O-NE 3.09Å; G31-R87 PolarHBondContact O-NH1 3.11Å; G31-R87 PolarHBondContact O-NH2 3.29Å; L33-R87 HydrophobicContact CB-CB 3.74Å; L33-R87 HydrophobicContact CD2-CB 4.31Å; L33-R87 WeakPolarHBondContact O-CD 3.4Å; L33-R87 PolarHBondContact O-NH1 2.88Å; I69-R87 WeakPolarHBondContact CA-O 3.26Å; L70-R87 PolarHBondContact N-O 3.37Å; L70-R87 PolarHBondContact O-N 2.95Å; R87-F89 HydrophobicContact CB-CE2 4.42Å; R87-F89 HydrophobicContact CG-CD2 4.5Å; R87-F89 HydrophobicContact CG-CE1 4.34Å; R87-F89 HydrophobicContact CG-CE2 4.17Å; R87-F89 HydrophobicContact CG-CZ 4.08Å; R87-E155 IonicContact CZ-OE1 3.69Å; R87-E155 IonicContact NE-OE1 3.93Å; R87-E155 IonicContact NH2-OE1 2.69Å; R87-E155 PolarHBondContact NH2-OE1 2.87Å
88L96.6Very high94.7Very high5 Ų565.7 Ų65.73%0.02630%0.299CS..EExtended strand (participates in β ladder)trans-104125.3171.6-53.4171.7000107.1V3 W8 L29 I69 M86 M103 P104 F106V3-L88 HydrophobicContact CG1-CD1 4.19Å; V3-L88 HydrophobicContact CG2-CD1 4.05Å; W8-L88 HydrophobicContact CH2-CD2 4.21Å; W8-L88 HydrophobicContact CZ3-CD2 4.43Å; L29-L88 HydrophobicContact CD2-CD1 4.07Å; L29-L88 HydrophobicContact CD2-CG 4.09Å; I69-L88 HydrophobicContact CB-CD2 4.37Å; I69-L88 HydrophobicContact CD1-CD2 3.82Å; I69-L88 HydrophobicContact CG1-CD2 3.73Å; I69-L88 HydrophobicContact CG2-CD2 3.96Å; M86-L88 HydrophobicContact CG-CD2 4.29Å; M86-L88 HydrophobicContact SD-CD2 4Å; L88-M103 HydrophobicContact CB-CE 3.84Å; L88-M103 HydrophobicContact CD1-CE 4.48Å; L88-P104 HydrophobicContact CB-CG 3.88Å; L88-F106 HydrophobicContact CD1-CE2 4.09Å; L88-F106 HydrophobicContact CD2-CE2 4.13Å
89F96.6Very high94.6Very high3 Ų356.5 Ų56.51%0.01327%0.267CS..  trans-89.8134-177.8-68.8-89.9000111.4Q68 L70 R87 E155 A156 L159 I161Q68-F89 HydrophobicContact CB-CB 4.31Å; Q68-F89 HydrophobicContact CB-CD2 3.76Å; Q68-F89 HydrophobicContact CB-CE2 4.49Å; Q68-F89 HydrophobicContact CB-CG 4.3Å; Q68-F89 WeakPolarHBondContact O-CD2 3.49Å; Q68-F89 PolarHBondContact O-N 2.96Å; Q68-F89 VanDerWaalsContact O-N 3.14Å; L70-F89 HydrophobicContact CB-CE2 3.66Å; L70-F89 HydrophobicContact CB-CZ 4.19Å; L70-F89 HydrophobicContact CD2-CZ 4.38Å; R87-F89 HydrophobicContact CB-CE2 4.42Å; R87-F89 HydrophobicContact CG-CD2 4.5Å; R87-F89 HydrophobicContact CG-CE1 4.34Å; R87-F89 HydrophobicContact CG-CE2 4.17Å; R87-F89 HydrophobicContact CG-CZ 4.08Å; F89-E155 WeakPolarHBondContact CA-OE2 3.44Å; F89-E155 HydrophobicContact CB-CB 4.33Å; F89-E155 HydrophobicContact CD1-CB 4.37Å; F89-E155 HydrophobicContact CD1-CG 4.06Å; F89-A156 HydrophobicContact CB-CB 3.86Å; F89-A156 HydrophobicContact CD1-CB 3.98Å; F89-A156 HydrophobicContact CD2-CB 4.28Å; F89-A156 HydrophobicContact CG-CB 3.77Å; F89-L159 HydrophobicContact CD1-CD1 4.21Å; F89-L159 HydrophobicContact CE1-CD1 3.68Å; F89-I161 HydrophobicContact CD1-CD1 4.37Å; F89-I161 HydrophobicContact CE1-CD1 3.49Å; F89-I161 VanDerWaalsContact CE1-CD1 3.49Å; F89-I161 HydrophobicContact CE2-CD1 3.99Å; F89-I161 HydrophobicContact CZ-CD1 3.25Å
90G96.4Very high94.7Very high0 Ų059.4 Ų59.40%028%0.276CS..  trans-84.6175.4-177.300000114.8E102 E155G90-E102 CarbonylContact C-O 3.52Å; G90-E102 WeakPolarHBondContact CA-O 3.25Å; G90-E155 PolarHBondContact N-OE2 3.31Å; G90-E155 VanDerWaalsContact O-CB 3.23Å; G90-E155 WeakPolarHBondContact O-CB 3.31Å; G90-E155 PolarHBondContact O-N 2.93Å
91Q96.9Very high94.9Very high7 Ų760.1 Ų60.13%0.03327%0.273CS..BIsolated β-bridgetrans-133.8144.3172.2-67.8-169.6-3.800111.6F53 W62 S64 E102 N153F53-Q91 HydrophobicContact CD1-CB 4Å; F53-Q91 HydrophobicContact CD1-CG 4.47Å; F53-Q91 HydrophobicContact CD2-CB 4.43Å; F53-Q91 HydrophobicContact CD2-CG 4.48Å; F53-Q91 HydrophobicContact CE1-CB 3.84Å; F53-Q91 HydrophobicContact CE1-CG 3.87Å; F53-Q91 HydrophobicContact CE2-CB 4.3Å; F53-Q91 HydrophobicContact CE2-CG 3.9Å; F53-Q91 HydrophobicContact CG-CB 4.29Å; F53-Q91 HydrophobicContact CZ-CB 4Å; F53-Q91 HydrophobicContact CZ-CG 3.56Å; W62-Q91 HydrophobicContact CZ2-CB 4.07Å; S64-Q91 PolarHBondContact OG-NE2 2.78Å; S64-Q91 VanDerWaalsContact OG-NE2 3.07Å; Q91-E102 PolarHBondContact N-O 3.03Å; Q91-E102 PolarHBondContact O-N 3.41Å; Q91-N153 CarbonylContact C-O 3.58Å; Q91-N153 VanDerWaalsContact CA-O 3.29Å; Q91-N153 WeakPolarHBondContact CA-O 3.33Å
92R97.1Very high94.9Very high97 Ų9756.9 Ų56.937%0.36626%0.258SS..  trans-79.7152.5172.5-77-179.8-178.3161.82.3111.3W62 Q94 S99 Y101 N153W62-R92 WeakPolarHBondContact CZ2-O 3.32Å; R92-Q94 PolarHBondContact O-N 2.49Å; R92-S99 WeakPolarHBondContact CB-OG 3.5Å; R92-S99 WeakPolarHBondContact CD-O 3.32Å; R92-S99 WeakPolarHBondContact CG-O 3.11Å; R92-S99 PolarHBondContact NE-O 2.98Å; R92-Y101 HydrophobicContact CG-CD1 3.68Å; R92-Y101 HydrophobicContact CG-CE1 3.69Å; R92-Y101 HydrophobicContact CG-CG 4.26Å; R92-N153 HydrophobicContact CB-CB 3.94Å; R92-N153 PolarHBondContact N-O 3.27Å
93C96.4Very high94.8Very high4 Ų461 Ų613%0.02728%0.278CS..  trans-76.6123.6174.2-177.30000110.4C55 C58 W62 K95 C96 S99C55-C93 HydrophobicContact CB-CB 3.91Å; C55-C93 VanDerWaalsContact SG-CB 3.55Å; C58-C93 VanDerWaalsContact SG-SG 3.62Å; W62-C93 HydrophobicContact CH2-CB 3.99Å; W62-C93 HydrophobicContact CZ3-CB 4.23Å; C93-K95 PolarHBondContact O-N 2.8Å; C93-K95 VanDerWaalsContact O-N 3.14Å; C93-C96 HydrophobicContact CB-CB 4.16Å; C93-C96 PolarHBondContact O-N 3.29Å; C93-S99 PolarHBondContact N-OG 3.16Å; C93-S99 VanDerWaalsContact N-OG 3.09Å; C93-S99 PolarHBondContact O-OG 3.29Å
94Q93.5Very high94.8Very high125 Ų12557 Ų5758%0.58426%0.259SS*.SBendtrans-59-25.7178.8-68.8175.5-1500114.8R92 D150R92-Q94 PolarHBondContact O-N 2.49Å; Q94-D150 WeakPolarHBondContact CG-OD2 3.4Å; Q94-D150 PolarHBondContact NE2-OD2 3.03Å
95K94Very high94.6Very high151 Ų15159.6 Ų59.666%0.65727%0.271SS*.SBendtrans-92.5-31.5-175.7-172.4175.6179.6-179.80112.9C93C93-K95 PolarHBondContact O-N 2.8Å; C93-K95 VanDerWaalsContact O-N 3.14Å
96C94.8Very high94.5Very high26 Ų2656 Ų5618%0.17626%0.259CS..SBendtrans-90.4122.1-173.8-67.10000110C58 C93 S99C58-C96 VanDerWaalsContact CB-SG 3.59Å; C58-C96 PolarHBondContact SG-SG 3.24Å; C93-C96 HydrophobicContact CB-CB 4.16Å; C93-C96 PolarHBondContact O-N 3.29Å; C96-S99 PolarHBondContact O-OG 3.41Å
97S88.4Confident94.3Very high100 Ų10057.5 Ų57.570%0.69927%0.27SS*.THydrogen-bonded Turntrans-62140.3166.358.10000110.1S99S97-S99 PolarHBondContact O-N 3.09Å
98W82.4Confident94.1Very high230 Ų23060.2 Ų60.287%0.87129%0.293SS*.THydrogen-bonded Turntrans58.528.5177.6-51.585.2000114.4
99S89.2Confident93.9Very high17 Ų1765.2 Ų65.212%0.11932%0.32CS..PPolyproline II helixtrans-66.2142.6175.954.70000111.9R92 C93 C96 S97R92-S99 WeakPolarHBondContact CB-OG 3.5Å; R92-S99 WeakPolarHBondContact CD-O 3.32Å; R92-S99 WeakPolarHBondContact CG-O 3.11Å; R92-S99 PolarHBondContact NE-O 2.98Å; C93-S99 PolarHBondContact N-OG 3.16Å; C93-S99 VanDerWaalsContact N-OG 3.09Å; C93-S99 PolarHBondContact O-OG 3.29Å; C96-S99 PolarHBondContact O-OG 3.41Å; S97-S99 PolarHBondContact O-N 3.09Å
100Q93.7Very high93.8Very high123 Ų12365.5 Ų65.558%0.57532%0.322SS*.PPolyproline II helixtrans-72165.7167.963.9-171.5-19.500110.9S56 E102S56-Q100 PolarHBondContact OG-NE2 2.69Å; S56-Q100 VanDerWaalsContact OG-NE2 3.08Å; Q100-E102 PolarHBondContact O-N 2.81Å
101Y96.4Very high93.7Very high57 Ų5766 Ų6622%0.22433%0.325CS..PPolyproline II helixtrans-72.6117.3169.6-69.8-69.4000109.1R92 E155 T158R92-Y101 HydrophobicContact CG-CD1 3.68Å; R92-Y101 HydrophobicContact CG-CE1 3.69Å; R92-Y101 HydrophobicContact CG-CG 4.26Å; Y101-E155 HydrophobicContact CD1-CB 3.58Å; Y101-E155 HydrophobicContact CD1-CG 4.23Å; Y101-E155 HydrophobicContact CD2-CB 4.31Å; Y101-E155 HydrophobicContact CD2-CG 4.04Å; Y101-E155 HydrophobicContact CE1-CB 3.6Å; Y101-E155 HydrophobicContact CE1-CG 4.25Å; Y101-E155 HydrophobicContact CE2-CB 4.33Å; Y101-E155 HydrophobicContact CE2-CG 4.07Å; Y101-E155 HydrophobicContact CG-CB 3.96Å; Y101-E155 HydrophobicContact CG-CG 4.13Å; Y101-T158 VanDerWaalsContact OH-CG2 3.32Å; Y101-T158 WeakPolarHBondContact OH-CG2 3.23Å; Y101-T158 PolarHBondContact OH-OG1 3.33Å
102E96.7Very high93.6Very high22 Ų2268.4 Ų68.410%0.10334%0.341CS..BIsolated β-bridgetrans-81.3136.7172.8-57.2-65.4179.500109F53 S56 W62 G90 Q91 Q100F53-E102 HydrophobicContact CD1-CB 4.39Å; F53-E102 VanDerWaalsContact CD1-O 3.29Å; F53-E102 WeakPolarHBondContact CD1-O 3.23Å; F53-E102 WeakPolarHBondContact CE1-O 2.86Å; S56-E102 WeakPolarHBondContact CB-OE1 3.46Å; S56-E102 PolarHBondContact N-OE1 3.31Å; S56-E102 PolarHBondContact OG-OE1 3.26Å; W62-E102 HydrophobicContact CH2-CB 4.29Å; W62-E102 HydrophobicContact CH2-CG 3.97Å; G90-E102 CarbonylContact C-O 3.52Å; G90-E102 WeakPolarHBondContact CA-O 3.25Å; Q91-E102 PolarHBondContact N-O 3.03Å; Q91-E102 PolarHBondContact O-N 3.41Å; Q100-E102 PolarHBondContact O-N 2.81Å
103M96.3Very high93.4Very high89 Ų8967.3 Ų67.344%0.43834%0.337SS..PPolyproline II helixtrans-71144.6176.7-69.9-61.4-69.200110.9L88L88-M103 HydrophobicContact CB-CE 3.84Å; L88-M103 HydrophobicContact CD1-CE 4.48Å
104P96.1Very high93.4Very high0 Ų067.4 Ų67.40%034%0.337CS..PPolyproline II helixtrans-69.5143.1175.129.3-35000111.6V3 W52 F53 V67 L88 F106V3-P104 WeakPolarHBondContact CG2-O 3.46Å; W52-P104 CarbonylContact O-C 3.52Å; W52-P104 WeakPolarHBondContact O-CA 3.27Å; F53-P104 HydrophobicContact CD1-CB 4.41Å; F53-P104 HydrophobicContact CE1-CB 3.69Å; F53-P104 HydrophobicContact CE1-CG 4.35Å; F53-P104 HydrophobicContact CZ-CB 3.75Å; V67-P104 HydrophobicContact CG1-CB 3.76Å; V67-P104 HydrophobicContact CG1-CG 3.74Å; V67-P104 HydrophobicContact CG2-CB 4.36Å; L88-P104 HydrophobicContact CB-CG 3.88Å; P104-F106 HydrophobicContact CB-CD2 4.49Å; P104-F106 HydrophobicContact CB-CE1 4.43Å; P104-F106 HydrophobicContact CB-CE2 3.76Å; P104-F106 HydrophobicContact CB-CZ 3.73Å; P104-F106 HydrophobicContact CG-CE2 3.65Å; P104-F106 HydrophobicContact CG-CZ 3.82Å
105E95Very high93.5Very high55 Ų5561.5 Ų61.526%0.25731%0.309SS..BIsolated β-bridgetrans-106.4134.1168.7-62.9-177.8175.800108.4M1 W52M1-E105 PolarHBondContact N-OE1 3.09Å; W52-E105 HydrophobicContact CB-CB 4.43Å; W52-E105 PolarHBondContact N-O 2.98Å; W52-E105 PolarHBondContact O-N 3.16Å
106F94.4Very high93.6Very high33 Ų3355.3 Ų55.315%0.14529%0.285CS..  trans-120.1142.7-177.3-62.6-78.5000110.3W8 A49 F50 V67 I69 L88 P104 T111 I114W8-F106 HydrophobicContact CH2-CD2 4.08Å; W8-F106 HydrophobicContact CH2-CE2 4.19Å; W8-F106 HydrophobicContact CZ2-CB 4.26Å; W8-F106 AromaticContact CZ2-CD2 3.48Å; W8-F106 HydrophobicContact CZ2-CD2 3.48Å; W8-F106 VanDerWaalsContact CZ2-CD2 3.48Å; W8-F106 HydrophobicContact CZ2-CE2 4.01Å; W8-F106 HydrophobicContact CZ2-CG 4.03Å; A49-F106 HydrophobicContact CB-CD1 4.42Å; A49-F106 HydrophobicContact CB-CE1 3.62Å; A49-F106 HydrophobicContact CB-CZ 4.29Å; F50-F106 WeakPolarHBondContact O-CD1 3.46Å; F50-F106 WeakPolarHBondContact O-CE1 3.19Å; V67-F106 HydrophobicContact CB-CE1 4.4Å; V67-F106 HydrophobicContact CB-CZ 4.33Å; V67-F106 HydrophobicContact CG1-CE1 4.35Å; V67-F106 HydrophobicContact CG1-CZ 3.8Å; I69-F106 HydrophobicContact CD1-CZ 4.22Å; L88-F106 HydrophobicContact CD1-CE2 4.09Å; L88-F106 HydrophobicContact CD2-CE2 4.13Å; P104-F106 HydrophobicContact CB-CD2 4.49Å; P104-F106 HydrophobicContact CB-CE1 4.43Å; P104-F106 HydrophobicContact CB-CE2 3.76Å; P104-F106 HydrophobicContact CB-CZ 3.73Å; P104-F106 HydrophobicContact CG-CE2 3.65Å; P104-F106 HydrophobicContact CG-CZ 3.82Å; F106-T111 WeakPolarHBondContact CB-OG1 3.34Å; F106-I114 HydrophobicContact CD1-CD1 3.64Å; F106-I114 HydrophobicContact CD2-CD1 4.49Å; F106-I114 HydrophobicContact CE1-CD1 3.69Å; F106-I114 HydrophobicContact CE2-CD1 4.49Å; F106-I114 HydrophobicContact CG-CD1 4.05Å; F106-I114 HydrophobicContact CZ-CD1 4.1Å
107S93.6Very high93.6Very high33 Ų3354.5 Ų54.523%0.23128%0.279CS..  trans-65.2165.8166.670.10000110.8D109 S110 T111 E142S107-D109 VanDerWaalsContact C-N 3.27Å; S107-D109 PolarHBondContact O-N 3.39Å; S107-S110 PolarHBondContact O-N 2.64Å; S107-S110 WeakPolarHBondContact OG-CB 3.41Å; S107-S110 PolarHBondContact OG-N 3.18Å; S107-S110 PolarHBondContact OG-OG 2.85Å; S107-T111 WeakPolarHBondContact O-CB 3.37Å; S107-T111 PolarHBondContact O-N 3.19Å; S107-T111 PolarHBondContact O-OG1 3.09Å; S107-E142 VanDerWaalsContact CB-OE1 3.26Å; S107-E142 WeakPolarHBondContact CB-OE1 3.39Å; S107-E142 PolarHBondContact OG-OE1 3.25Å
108S92.7Very high94Very high88 Ų8849.8 Ų49.862%0.61525%0.246SC*.Hα-helixtrans-55.8-44.4171.252.50000111.4T111 T112S108-T111 WeakPolarHBondContact O-CB 3.34Å; S108-T111 PolarHBondContact O-N 3.41Å; S108-T112 PolarHBondContact O-N 3.14Å; S108-T112 PolarHBondContact O-OG1 3.33Å; S108-T112 VanDerWaalsContact O-OG1 3.11Å
109D91.7Very high94.6Very high109 Ų10939.2 Ų39.258%0.58321%0.207SC*.Hα-helixtrans-66.5-43.3-177.6-69.63.6000111.6S107 R113S107-D109 VanDerWaalsContact C-N 3.27Å; S107-D109 PolarHBondContact O-N 3.39Å; D109-R113 VanDerWaalsContact O-CG 3.27Å; D109-R113 WeakPolarHBondContact O-CG 3.48Å; D109-R113 PolarHBondContact O-N 2.78Å; D109-R113 VanDerWaalsContact O-N 3.08Å
110S93.4Very high94.8Very high9 Ų941.4 Ų41.46%0.06322%0.215CC..Hα-helixtrans-63.9-42.7174.7-75.90000111S107 R113 I114 E142S107-S110 PolarHBondContact O-N 2.64Å; S107-S110 WeakPolarHBondContact OG-CB 3.41Å; S107-S110 PolarHBondContact OG-N 3.18Å; S107-S110 PolarHBondContact OG-OG 2.85Å; S110-R113 PolarHBondContact O-N 3.3Å; S110-I114 VanDerWaalsContact O-CD1 3.31Å; S110-I114 WeakPolarHBondContact O-CD1 3.47Å; S110-I114 WeakPolarHBondContact O-CG1 3.33Å; S110-I114 PolarHBondContact O-N 2.8Å; S110-E142 PolarHBondContact OG-OE1 3.29Å
111T94.7Very high94.8Very high10 Ų1037.2 Ų37.26%0.06120%0.195CC..Hα-helixtrans-58.9-51175.8-600000111.6W8 F106 S107 S108 R113 I114 L115W8-T111 HydrophobicContact CD2-CG2 3.91Å; W8-T111 HydrophobicContact CG-CG2 4.14Å; W8-T111 HydrophobicContact CZ2-CG2 3.93Å; F106-T111 WeakPolarHBondContact CB-OG1 3.34Å; S107-T111 WeakPolarHBondContact O-CB 3.37Å; S107-T111 PolarHBondContact O-N 3.19Å; S107-T111 PolarHBondContact O-OG1 3.09Å; S108-T111 WeakPolarHBondContact O-CB 3.34Å; S108-T111 PolarHBondContact O-N 3.41Å; T111-R113 VanDerWaalsContact C-N 3.3Å; T111-R113 PolarHBondContact O-N 3.41Å; T111-I114 PolarHBondContact O-N 2.73Å; T111-L115 HydrophobicContact CG2-CD1 3.88Å; T111-L115 HydrophobicContact CG2-CG 4.49Å; T111-L115 WeakPolarHBondContact O-CG 3.29Å; T111-L115 PolarHBondContact O-N 3.29Å
112T94.4Very high94.7Very high59 Ų5934.5 Ų34.536%0.36219%0.185SC..Hα-helixtrans-59.2-40178.6-62.10000111.9S108 S116S108-T112 PolarHBondContact O-N 3.14Å; S108-T112 PolarHBondContact O-OG1 3.33Å; S108-T112 VanDerWaalsContact O-OG1 3.11Å; T112-S116 VanDerWaalsContact O-CB 3.23Å; T112-S116 WeakPolarHBondContact O-CB 3.49Å; T112-S116 PolarHBondContact O-N 3.25Å; T112-S116 PolarHBondContact O-OG 2.98Å
113R94.4Very high94.5Very high74 Ų7435.7 Ų35.728%0.27919%0.191SC..Hα-helixtrans-64.4-47.4176.4-73.7169.7-174.2-79.6-10112.4D109 S110 T111 L115 S116 N117 M137 I140D109-R113 VanDerWaalsContact O-CG 3.27Å; D109-R113 WeakPolarHBondContact O-CG 3.48Å; D109-R113 PolarHBondContact O-N 2.78Å; D109-R113 VanDerWaalsContact O-N 3.08Å; S110-R113 PolarHBondContact O-N 3.3Å; T111-R113 VanDerWaalsContact C-N 3.3Å; T111-R113 PolarHBondContact O-N 3.41Å; R113-L115 VanDerWaalsContact C-N 3.29Å; R113-L115 PolarHBondContact O-N 2.88Å; R113-S116 PolarHBondContact O-N 3.35Å; R113-N117 WeakPolarHBondContact O-CB 3.19Å; R113-N117 PolarHBondContact O-N 2.92Å; R113-M137 HydrophobicContact CG-CE 4.01Å; R113-I140 VanDerWaalsContact NH2-CD1 3.28Å
114I95.7Very high94.2Very high6 Ų637 Ų373%0.03120%0.195CC..Hα-helixtrans-57.4-46.6178.8-68.7160.3000110.3W8 Q47 A49 I69 F106 S110 T111 N117 L118W8-I114 HydrophobicContact CH2-CB 4.19Å; W8-I114 HydrophobicContact CH2-CD1 3.76Å; W8-I114 HydrophobicContact CH2-CG2 3.74Å; W8-I114 HydrophobicContact CZ2-CD1 4.32Å; W8-I114 HydrophobicContact CZ3-CB 4.46Å; W8-I114 HydrophobicContact CZ3-CG2 3.71Å; Q47-I114 PolarHBondContact NE2-O 2.87Å; Q47-I114 PolarHBondContact OE1-O 3.36Å; A49-I114 HydrophobicContact CB-CD1 3.53Å; A49-I114 HydrophobicContact CB-CG1 3.72Å; I69-I114 HydrophobicContact CD1-CB 4.41Å; I69-I114 HydrophobicContact CD1-CD1 3.79Å; I69-I114 HydrophobicContact CD1-CG1 3.94Å; I69-I114 HydrophobicContact CD1-CG2 3.54Å; F106-I114 HydrophobicContact CD1-CD1 3.64Å; F106-I114 HydrophobicContact CD2-CD1 4.49Å; F106-I114 HydrophobicContact CE1-CD1 3.69Å; F106-I114 HydrophobicContact CE2-CD1 4.49Å; F106-I114 HydrophobicContact CG-CD1 4.05Å; F106-I114 HydrophobicContact CZ-CD1 4.1Å; S110-I114 VanDerWaalsContact O-CD1 3.31Å; S110-I114 WeakPolarHBondContact O-CD1 3.47Å; S110-I114 WeakPolarHBondContact O-CG1 3.33Å; S110-I114 PolarHBondContact O-N 2.8Å; T111-I114 PolarHBondContact O-N 2.73Å; I114-N117 PolarHBondContact O-N 3.2Å; I114-L118 PolarHBondContact O-N 3.39Å; I114-L118 VanDerWaalsContact O-N 3.13Å
115L96.8Very high93.9Very high0 Ų042.3 Ų42.30%022%0.218CC..Hα-helixtrans-72.4-36.6-178.9-66.3176.8000112.2W8 T11 F12 L15 L27 M86 T111 R113 N117 L118 V119W8-L115 HydrophobicContact CE3-CD1 4.28Å; W8-L115 HydrophobicContact CE3-CD2 3.73Å; W8-L115 HydrophobicContact CE3-CG 4.12Å; W8-L115 HydrophobicContact CZ3-CD2 4Å; W8-L115 HydrophobicContact CZ3-CG 4.31Å; W8-L115 WeakPolarHBondContact O-CD1 3.07Å; T11-L115 HydrophobicContact CG2-CD1 3.77Å; F12-L115 HydrophobicContact CB-CD1 4.21Å; F12-L115 HydrophobicContact CB-CD2 4.1Å; F12-L115 HydrophobicContact CD2-CD2 4.35Å; L15-L115 HydrophobicContact CD1-CB 3.76Å; L27-L115 HydrophobicContact CD2-CD2 4.18Å; M86-L115 HydrophobicContact CE-CD2 4.22Å; T111-L115 HydrophobicContact CG2-CD1 3.88Å; T111-L115 HydrophobicContact CG2-CG 4.49Å; T111-L115 WeakPolarHBondContact O-CG 3.29Å; T111-L115 PolarHBondContact O-N 3.29Å; R113-L115 VanDerWaalsContact C-N 3.29Å; R113-L115 PolarHBondContact O-N 2.88Å; L115-N117 PolarHBondContact O-N 2.92Å; L115-L118 HydrophobicContact CD2-CD2 4.38Å; L115-L118 WeakPolarHBondContact O-CB 3.32Å; L115-L118 PolarHBondContact O-N 3.48Å; L115-V119 WeakPolarHBondContact O-CG2 3.48Å; L115-V119 PolarHBondContact O-N 3.48Å
116S95.1Very high93.8Very high22 Ų2241.7 Ų41.715%0.15421%0.213CC..Hα-helixtrans-61.3-43.3173.4-63.50000111.7T112 R113 L118 V119 Q120T112-S116 VanDerWaalsContact O-CB 3.23Å; T112-S116 WeakPolarHBondContact O-CB 3.49Å; T112-S116 PolarHBondContact O-N 3.25Å; T112-S116 PolarHBondContact O-OG 2.98Å; R113-S116 PolarHBondContact O-N 3.35Å; S116-L118 VanDerWaalsContact C-N 3.34Å; S116-L118 PolarHBondContact O-N 3.25Å; S116-V119 PolarHBondContact O-N 3.5Å; S116-Q120 WeakPolarHBondContact O-CG 3.34Å; S116-Q120 PolarHBondContact O-N 2.95Å
117N95.1Very high93.6Very high9 Ų941.8 Ų41.85%0.04821%0.213CC..Hα-helixtrans-61.2-42.8174.9-77.1-12.1000112.1Q47 R113 I114 L115 Q120 H121 M137Q47-N117 PolarHBondContact OE1-ND2 3.48Å; R113-N117 WeakPolarHBondContact O-CB 3.19Å; R113-N117 PolarHBondContact O-N 2.92Å; I114-N117 PolarHBondContact O-N 3.2Å; L115-N117 PolarHBondContact O-N 2.92Å; N117-Q120 PolarHBondContact O-N 2.96Å; N117-H121 PolarHBondContact O-N 3.31Å; N117-M137 PolarHBondContact ND2-O 3.33Å; N117-M137 VanDerWaalsContact OD1-CB 3.27Å; N117-M137 WeakPolarHBondContact OD1-CB 3.5Å; N117-M137 WeakPolarHBondContact OD1-CG 3.5Å; N117-M137 PolarHBondContact OD1-N 2.75Å
118L96.2Very high93.1Very high0 Ų041.8 Ų41.80%022%0.218CC..Hα-helixtrans-62.2-44.8174.7172.164000112F12 L27 Y45 C71 T73 V84 M86 I114 L115 S116 H121 I122F12-L118 HydrophobicContact CD2-CD2 3.98Å; F12-L118 HydrophobicContact CE2-CD2 3.78Å; F12-L118 HydrophobicContact CE2-CG 4.13Å; L27-L118 HydrophobicContact CD1-CD2 3.84Å; Y45-L118 HydrophobicContact CD1-CD1 3.92Å; Y45-L118 HydrophobicContact CE1-CB 4.37Å; Y45-L118 HydrophobicContact CE1-CD1 4.46Å; C71-L118 HydrophobicContact CB-CD1 4.14Å; T73-L118 HydrophobicContact CG2-CD1 4.2Å; V84-L118 HydrophobicContact CG1-CD1 4.15Å; V84-L118 HydrophobicContact CG1-CD2 3.91Å; V84-L118 HydrophobicContact CG2-CD2 4.43Å; M86-L118 HydrophobicContact CE-CD2 3.67Å; I114-L118 PolarHBondContact O-N 3.39Å; I114-L118 VanDerWaalsContact O-N 3.13Å; L115-L118 HydrophobicContact CD2-CD2 4.38Å; L115-L118 WeakPolarHBondContact O-CB 3.32Å; L115-L118 PolarHBondContact O-N 3.48Å; S116-L118 VanDerWaalsContact C-N 3.34Å; S116-L118 PolarHBondContact O-N 3.25Å; L118-H121 WeakPolarHBondContact O-CB 3.43Å; L118-H121 PolarHBondContact O-N 2.84Å; L118-I122 HydrophobicContact CD1-CD1 4.15Å; L118-I122 HydrophobicContact CD1-CG1 4.44Å; L118-I122 HydrophobicContact CG-CD1 4.1Å; L118-I122 WeakPolarHBondContact O-CG1 3.26Å; L118-I122 PolarHBondContact O-N 3.13Å
119V95.7Very high91.8Very high9 Ų945.4 Ų45.46%0.05523%0.231CC..Hα-helixtrans-61.3-45.9176.11670000110.4F12 L15 I16 A19 L115 S116 H121 I122 L123F12-V119 HydrophobicContact CD2-CG2 4.02Å; F12-V119 HydrophobicContact CE2-CG2 3.89Å; L15-V119 HydrophobicContact CB-CG2 3.93Å; I16-V119 HydrophobicContact CB-CG2 4.12Å; I16-V119 HydrophobicContact CD1-CB 4.49Å; I16-V119 HydrophobicContact CD1-CG1 3.85Å; I16-V119 HydrophobicContact CD1-CG2 4.23Å; A19-V119 HydrophobicContact CB-CG1 4.35Å; L115-V119 WeakPolarHBondContact O-CG2 3.48Å; L115-V119 PolarHBondContact O-N 3.48Å; S116-V119 PolarHBondContact O-N 3.5Å; V119-H121 VanDerWaalsContact C-N 3.3Å; V119-H121 PolarHBondContact O-N 3.41Å; V119-I122 WeakPolarHBondContact O-CB 3.2Å; V119-I122 PolarHBondContact O-N 3.31Å; V119-I122 VanDerWaalsContact O-N 3.11Å; V119-L123 HydrophobicContact CG1-CD1 3.91Å; V119-L123 HydrophobicContact CG1-CG 4.16Å; V119-L123 VanDerWaalsContact O-CG 3.25Å; V119-L123 WeakPolarHBondContact O-CG 3.33Å; V119-L123 PolarHBondContact O-N 3.42Å
120Q92.9Very high90.1Very high63 Ų6344 Ų4429%0.29424%0.241SC..Hα-helixtrans-58.5-41.5175-72.6178.58.100112.4S116 N117 L123 K124S116-Q120 WeakPolarHBondContact O-CG 3.34Å; S116-Q120 PolarHBondContact O-N 2.95Å; N117-Q120 PolarHBondContact O-N 2.96Å; Q120-L123 PolarHBondContact O-N 3.04Å; Q120-K124 WeakPolarHBondContact O-CB 3.34Å; Q120-K124 PolarHBondContact O-N 3.49Å
121H92.9Very high88.2Confident35 Ų3549 Ų4916%0.16227%0.272CS..Hα-helixtrans-57.9-49.5173.3174.789.8000111.4Y45 N117 L118 V119 K124 K125Y45-H121 HydrophobicContact CD1-CB 4.04Å; Y45-H121 HydrophobicContact CD2-CB 4.08Å; Y45-H121 AromaticContact CD2-CE1 3.81Å; Y45-H121 AromaticContact CD2-CG 3.66Å; Y45-H121 AromaticContact CD2-ND1 3.22Å; Y45-H121 WeakPolarHBondContact CD2-ND1 3.16Å; Y45-H121 HydrophobicContact CE1-CB 4.1Å; Y45-H121 HydrophobicContact CE2-CB 4.17Å; Y45-H121 AromaticContact CE2-ND1 3.91Å; Y45-H121 HydrophobicContact CG-CB 4.03Å; Y45-H121 AromaticContact CG-CD2 3.97Å; Y45-H121 AromaticContact CG-CE1 3.91Å; Y45-H121 AromaticContact CG-CG 3.56Å; Y45-H121 AromaticContact CG-ND1 3.53Å; N117-H121 PolarHBondContact O-N 3.31Å; L118-H121 WeakPolarHBondContact O-CB 3.43Å; L118-H121 PolarHBondContact O-N 2.84Å; V119-H121 VanDerWaalsContact C-N 3.3Å; V119-H121 PolarHBondContact O-N 3.41Å; H121-K124 PolarHBondContact O-N 2.9Å; H121-K125 VanDerWaalsContact O-CB 3.23Å; H121-K125 WeakPolarHBondContact O-CB 3.27Å; H121-K125 PolarHBondContact O-N 3.48Å
122I94.7Very high86.3Confident0 Ų060.2 Ų60.20%031%0.313CS..Hα-helixtrans-58.8-50.2178.6-73.5164.5000110.9F12 I16 W25 T73 V84 L118 V119 K124 K125 Y126 Y127F12-I122 HydrophobicContact CE2-CD1 3.89Å; F12-I122 HydrophobicContact CZ-CD1 3.89Å; I16-I122 HydrophobicContact CD1-CG2 4.09Å; W25-I122 HydrophobicContact CD2-CD1 4.22Å; W25-I122 HydrophobicContact CD2-CG2 4.08Å; W25-I122 HydrophobicContact CE3-CD1 3.77Å; W25-I122 HydrophobicContact CE3-CG1 4.37Å; W25-I122 HydrophobicContact CE3-CG2 4.37Å; W25-I122 HydrophobicContact CH2-CD1 4.43Å; W25-I122 HydrophobicContact CH2-CG1 4.15Å; W25-I122 HydrophobicContact CH2-CG2 3.69Å; W25-I122 HydrophobicContact CZ2-CG2 3.31Å; W25-I122 HydrophobicContact CZ3-CD1 3.88Å; W25-I122 HydrophobicContact CZ3-CG1 4.02Å; W25-I122 HydrophobicContact CZ3-CG2 4.19Å; T73-I122 HydrophobicContact CG2-CG1 4.32Å; V84-I122 HydrophobicContact CG2-CD1 3.81Å; L118-I122 HydrophobicContact CD1-CD1 4.15Å; L118-I122 HydrophobicContact CD1-CG1 4.44Å; L118-I122 HydrophobicContact CG-CD1 4.1Å; L118-I122 WeakPolarHBondContact O-CG1 3.26Å; L118-I122 PolarHBondContact O-N 3.13Å; V119-I122 WeakPolarHBondContact O-CB 3.2Å; V119-I122 PolarHBondContact O-N 3.31Å; V119-I122 VanDerWaalsContact O-N 3.11Å; I122-K124 VanDerWaalsContact C-N 3.31Å; I122-K124 PolarHBondContact O-N 3.33Å; I122-K125 PolarHBondContact O-N 3.44Å; I122-K125 VanDerWaalsContact O-N 3.15Å; I122-Y126 HydrophobicContact CG2-CD2 4.19Å; I122-Y126 WeakPolarHBondContact O-CD2 3.44Å; I122-Y126 PolarHBondContact O-N 3.48Å; I122-Y127 HydrophobicContact CG2-CD2 4.41Å; I122-Y127 HydrophobicContact CG2-CE2 3.91Å
123L92.7Very high84.6Confident46 Ų4665.9 Ų65.924%0.24133%0.333CS..Iπ-helixtrans-54.5-48.7178.7-68.5176.9000111.4I16 A19 K20 V119 Q120 Y127 G128I16-L123 HydrophobicContact CD1-CD2 4.49Å; A19-L123 HydrophobicContact CB-CD1 3.81Å; A19-L123 HydrophobicContact CB-CD2 3.98Å; A19-L123 HydrophobicContact CB-CG 4.43Å; K20-L123 HydrophobicContact CD-CD2 4.18Å; K20-L123 HydrophobicContact CG-CD2 3.51Å; V119-L123 HydrophobicContact CG1-CD1 3.91Å; V119-L123 HydrophobicContact CG1-CG 4.16Å; V119-L123 VanDerWaalsContact O-CG 3.25Å; V119-L123 WeakPolarHBondContact O-CG 3.33Å; V119-L123 PolarHBondContact O-N 3.42Å; Q120-L123 PolarHBondContact O-N 3.04Å; L123-Y127 HydrophobicContact CD2-CD2 4.15Å; L123-Y127 CarbonylContact O-C 3.51Å; L123-Y127 WeakPolarHBondContact O-CA 3.44Å; L123-Y127 WeakPolarHBondContact O-CB 3.34Å; L123-Y127 PolarHBondContact O-N 3.42Å; L123-G128 PolarHBondContact O-N 3.34Å
124K89.5Confident83.1Confident116 Ų11665.6 Ų65.650%0.50434%0.342SS..Iπ-helixtrans-65.2-41.8178.3-179.3-179.1177.4-175.10112.5Q120 H121 I122Q120-K124 WeakPolarHBondContact O-CB 3.34Å; Q120-K124 PolarHBondContact O-N 3.49Å; H121-K124 PolarHBondContact O-N 2.9Å; I122-K124 VanDerWaalsContact C-N 3.31Å; I122-K124 PolarHBondContact O-N 3.33Å
125K91.1Very high81.7Confident113 Ų11370 Ų7049%0.49137%0.371SS..Iπ-helixtrans-78.6-36.4-170.5-171.959.9177.5179.40113.2K43 H121 I122K43-K125 HydrophobicContact CG-CG 4.44Å; H121-K125 VanDerWaalsContact O-CB 3.23Å; H121-K125 WeakPolarHBondContact O-CB 3.27Å; H121-K125 PolarHBondContact O-N 3.48Å; I122-K125 PolarHBondContact O-N 3.44Å; I122-K125 VanDerWaalsContact O-N 3.15Å
126Y92.4Very high80.5Confident41 Ų4173.9 Ų73.916%0.16139%0.39CS..Iπ-helixtrans-114.3-19.8-170.6-60.4-73.5000114.3W25 K43 T73 W75 I122W25-Y126 AromaticContact CH2-CD2 3.67Å; W25-Y126 HydrophobicContact CH2-CD2 3.67Å; W25-Y126 AromaticContact CH2-CE2 3.77Å; W25-Y126 HydrophobicContact CH2-CE2 3.77Å; W25-Y126 HydrophobicContact CH2-CG 4.33Å; W25-Y126 HydrophobicContact CZ2-CD2 4.05Å; W25-Y126 HydrophobicContact CZ2-CG 4.43Å; K43-Y126 WeakPolarHBondContact CB-OH 3.47Å; K43-Y126 HydrophobicContact CG-CE1 4.32Å; K43-Y126 VanDerWaalsContact CG-OH 3.23Å; K43-Y126 WeakPolarHBondContact CG-OH 3.4Å; T73-Y126 VanDerWaalsContact C-OH 3.32Å; T73-Y126 PolarHBondContact O-OH 3.05Å; T73-Y126 WeakPolarHBondContact OG1-CE2 3.44Å; T73-Y126 PolarHBondContact OG1-OH 2.82Å; W75-Y126 HydrophobicContact CB-CD1 3.26Å; W75-Y126 HydrophobicContact CB-CD2 4.46Å; W75-Y126 HydrophobicContact CB-CE1 3.48Å; W75-Y126 VanDerWaalsContact CB-CE1 3.48Å; W75-Y126 HydrophobicContact CB-CG 3.79Å; W75-Y126 AromaticContact CG-CD1 3.92Å; W75-Y126 HydrophobicContact CG-CD1 3.92Å; W75-Y126 HydrophobicContact CG-CG 4.23Å; I122-Y126 HydrophobicContact CG2-CD2 4.19Å; I122-Y126 WeakPolarHBondContact O-CD2 3.44Å; I122-Y126 PolarHBondContact O-N 3.48Å
127Y90Very high79.6Confident36 Ų3675.9 Ų75.914%0.14140%0.397CS..Iπ-helixtrans-126.3-3.6-176.7-53-77.4000114K20 W22 A23 W25 W75 I122 L123K20-Y127 HydrophobicContact CD-CD1 4.39Å; K20-Y127 HydrophobicContact CD-CG 4.31Å; K20-Y127 HydrophobicContact CG-CD2 4.31Å; K20-Y127 HydrophobicContact CG-CE2 4.22Å; W22-Y127 AromaticContact CH2-CD1 3.64Å; W22-Y127 HydrophobicContact CH2-CD1 3.64Å; W22-Y127 AromaticContact CH2-CE1 3.29Å; W22-Y127 HydrophobicContact CH2-CE1 3.29Å; W22-Y127 HydrophobicContact CZ2-CD1 4Å; W22-Y127 AromaticContact CZ2-CE1 3.96Å; W22-Y127 HydrophobicContact CZ2-CE1 3.96Å; W22-Y127 AromaticContact CZ3-CE1 3.87Å; W22-Y127 HydrophobicContact CZ3-CE1 3.87Å; A23-Y127 VanDerWaalsContact CB-OH 3.23Å; A23-Y127 WeakPolarHBondContact CB-OH 3.46Å; W25-Y127 HydrophobicContact CZ2-CE2 4.08Å; W25-Y127 AromaticContact NE1-CE2 3.83Å; W25-Y127 AromaticContact NE1-CZ 3.78Å; W25-Y127 PolarHBondContact NE1-OH 3.08Å; W75-Y127 HydrophobicContact CH2-CE1 4.06Å; W75-Y127 AromaticContact CH2-CZ 3.88Å; W75-Y127 WeakPolarHBondContact CH2-OH 3.23Å; W75-Y127 AromaticContact CZ2-CE1 3.84Å; W75-Y127 HydrophobicContact CZ2-CE1 3.84Å; W75-Y127 WeakPolarHBondContact CZ2-OH 3.39Å; W75-Y127 WeakPolarHBondContact CZ3-OH 3.3Å; I122-Y127 HydrophobicContact CG2-CD2 4.41Å; I122-Y127 HydrophobicContact CG2-CE2 3.91Å; L123-Y127 HydrophobicContact CD2-CD2 4.15Å; L123-Y127 CarbonylContact O-C 3.51Å; L123-Y127 WeakPolarHBondContact O-CA 3.44Å; L123-Y127 WeakPolarHBondContact O-CB 3.34Å; L123-Y127 PolarHBondContact O-N 3.42Å
128G82.4Confident79.1Confident33 Ų3377.4 Ų77.434%0.3441%0.407SS..  trans-83.6120.8-177.400000111.1L123 G130L123-G128 PolarHBondContact O-N 3.34Å; G128-G130 PolarHBondContact O-N 2.75Å
129N65.9Low78.4Confident164 Ų16477.9 Ų77.988%0.87741%0.41SS*.SBendtrans-79.336.6171.8-6812000112.2
130G55.8Low77.9Confident78 Ų7879.8 Ų79.880%0.80442%0.42SS*.SBendtrans81.119-178.300000116G128G128-G130 PolarHBondContact O-N 2.75Å
131T53.3Low77.5Confident116 Ų11677.9 Ų77.971%0.71241%0.411SS*.  trans-67.7155.7177.128.80000113.9
132R56Low77.2Confident245 Ų24580 Ų8093%0.92542%0.421SS*.  trans-40.9140.2-172.6-85.1-178.5180171.10.1113.1S134R132-S134 PolarHBondContact O-N 3.16Å
133K57.4Low76.8Confident177 Ų17782.5 Ų82.577%0.7744%0.437SS*.  trans-58.9100.5170-61.2179.3-176.7178.60108.8
134S63.4Low76.5Confident68 Ų6884 Ų8448%0.47646%0.455SS..PPolyproline II helixtrans-66.6128.815954.50000107.2R132R132-S134 PolarHBondContact O-N 3.16Å
135P65.4Low76.3Confident99 Ų9981.6 Ų81.664%0.64345%0.448SS*.PPolyproline II helixtrans-62.5140.5169.826.6-31000108.4Y169P135-Y169 VanDerWaalsContact C-OH 3.27Å; P135-Y169 WeakPolarHBondContact CA-OH 3.29Å; P135-Y169 VanDerWaalsContact CB-OH 3.26Å; P135-Y169 WeakPolarHBondContact CB-OH 3.33Å
136E72.7Confident75.8Confident82 Ų8285.4 Ų85.438%0.38347%0.467SS..PPolyproline II helixtrans-53.5158.5168.2-65.9177.3-167.100110.3Y45 Y169Y45-E136 WeakPolarHBondContact CE2-OE1 3.02Å; Y45-E136 VanDerWaalsContact OH-CD 3.29Å; Y45-E136 PolarHBondContact OH-OE1 3.38Å; Y45-E136 PolarHBondContact OH-OE2 3.04Å; E136-Y169 VanDerWaalsContact CA-OH 3.31Å; E136-Y169 WeakPolarHBondContact CA-OH 3.39Å; E136-Y169 PolarHBondContact N-OH 3.22Å; E136-Y169 WeakPolarHBondContact O-CE2 3.4Å; E136-Y169 PolarHBondContact O-OH 3.07Å
137M77.1Confident75.4Confident64 Ų6487.3 Ų87.332%0.31550%0.499SS..PPolyproline II helixtrans-69.3137.4172.9-61.3178.472.500109.7R113 N117R113-M137 HydrophobicContact CG-CE 4.01Å; N117-M137 PolarHBondContact ND2-O 3.33Å; N117-M137 VanDerWaalsContact OD1-CB 3.27Å; N117-M137 WeakPolarHBondContact OD1-CB 3.5Å; N117-M137 WeakPolarHBondContact OD1-CG 3.5Å; N117-M137 PolarHBondContact OD1-N 2.75Å
138P83.3Confident75.2Confident40 Ų4091.1 Ų91.126%0.2653%0.531SS..PPolyproline II helixtrans-56.1153175.5-5.14.9000111.7I140 Y169 T171P138-I140 PolarHBondContact O-N 3.36Å; P138-Y169 WeakPolarHBondContact CA-O 3.45Å; P138-Y169 HydrophobicContact CB-CD2 3.57Å; P138-Y169 HydrophobicContact CB-CE2 4.06Å; P138-Y169 WeakPolarHBondContact CB-O 3.27Å; P138-Y169 HydrophobicContact CG-CD2 3.83Å; P138-Y169 HydrophobicContact CG-CE2 4.05Å; P138-T171 HydrophobicContact CB-CG2 3.83Å; P138-T171 HydrophobicContact CG-CG2 4.05Å
139V82.3Confident75.5Confident11 Ų1191.2 Ų91.27%0.06752%0.523CS..EExtended strand (participates in β ladder)trans-71.1120160.3178.80000108R48 F50 Y169 M170 T171R48-V139 HydrophobicContact CB-CG2 4.25Å; R48-V139 WeakPolarHBondContact O-CG2 3.37Å; F50-V139 HydrophobicContact CB-CG1 3.83Å; V139-Y169 PolarHBondContact N-O 3.23Å; V139-Y169 VanDerWaalsContact N-O 3.08Å; V139-M170 HydrophobicContact CB-CG 4.22Å; V139-M170 WeakPolarHBondContact O-CA 3.46Å; V139-T171 PolarHBondContact O-N 3.45Å
140I84.4Confident76.8Confident49 Ų4985.1 Ų85.125%0.25149%0.49SS..EExtended strand (participates in β ladder)trans-97.5122.7174.7-55.4-151.1000108.6F50 R113 P138 T171F50-I140 WeakPolarHBondContact CB-O 3.47Å; R113-I140 VanDerWaalsContact NH2-CD1 3.28Å; P138-I140 PolarHBondContact O-N 3.36Å; I140-T171 WeakPolarHBondContact CA-OG1 3.44Å; I140-T171 WeakPolarHBondContact CG1-OG1 3.43Å
141L85Confident78.5Confident22 Ų2285.6 Ų85.612%0.11548%0.478CS..PPolyproline II helixtrans-74.6130.4171.9-72.198.4000110.1F50 A65 L145 M170 T171 P173F50-L141 HydrophobicContact CD2-CB 4.48Å; F50-L141 HydrophobicContact CD2-CG 4.36Å; A65-L141 HydrophobicContact CB-CD2 4.14Å; A65-L141 HydrophobicContact CB-CG 4.19Å; L141-L145 HydrophobicContact CD2-CB 4.14Å; L141-L145 HydrophobicContact CD2-CD1 3.71Å; L141-L145 HydrophobicContact CD2-CG 3.79Å; L141-M170 HydrophobicContact CD1-CB 3.89Å; L141-M170 HydrophobicContact CD1-SD 4.4Å; L141-T171 WeakPolarHBondContact CD1-O 3.38Å; L141-T171 PolarHBondContact N-O 2.99Å; L141-P173 HydrophobicContact CB-CG 3.89Å; L141-P173 VanDerWaalsContact O-CA 3.27Å; L141-P173 WeakPolarHBondContact O-CA 3.45Å
142E86.8Confident80.4Confident80 Ų8083.5 Ų83.537%0.37447%0.472SS..SBendtrans-87.1-25.2174-59.9170.4-16800111.6F50 W52 S107 S110F50-E142 HydrophobicContact CD1-CB 4.08Å; F50-E142 HydrophobicContact CD1-CG 3.74Å; F50-E142 HydrophobicContact CE1-CB 3.52Å; F50-E142 HydrophobicContact CE1-CG 3.64Å; F50-E142 WeakPolarHBondContact CE1-OE2 3.48Å; F50-E142 HydrophobicContact CZ-CB 3.96Å; W52-E142 PolarHBondContact NE1-OE2 3.36Å; S107-E142 VanDerWaalsContact CB-OE1 3.26Å; S107-E142 WeakPolarHBondContact CB-OE1 3.39Å; S107-E142 PolarHBondContact OG-OE1 3.25Å; S110-E142 PolarHBondContact OG-OE1 3.29Å
143V86.4Confident82.3Confident53 Ų5373.5 Ų73.532%0.32144%0.437SS..SBendtrans-130.7152.4177.174.70000110.4F50 W52 A63 L145 P173F50-V143 HydrophobicContact CE2-CG1 4.04Å; F50-V143 HydrophobicContact CZ-CG1 3.85Å; W52-V143 HydrophobicContact CH2-CB 4.03Å; W52-V143 HydrophobicContact CH2-CG1 3.76Å; W52-V143 HydrophobicContact CH2-CG2 4.46Å; W52-V143 HydrophobicContact CZ2-CB 4.13Å; W52-V143 HydrophobicContact CZ2-CG1 3.99Å; A63-V143 HydrophobicContact CB-CG1 4.04Å; V143-L145 HydrophobicContact CG1-CD2 3.77Å; V143-L145 HydrophobicContact CG1-CG 4.39Å; V143-L145 PolarHBondContact O-N 3.13Å; V143-P173 WeakPolarHBondContact O-CG 3.41Å
144A85.3Confident84.1Confident76 Ų7665.2 Ų65.263%0.62840%0.401SS*.  trans-63.5125.8167.700000109.3P173A144-P173 HydrophobicContact CB-CG 4.38Å
145L85.6Confident85.7Confident66 Ų6663.4 Ų63.435%0.34639%0.385SS..  trans-104.1134.5173.9-63.8178.3000109.1F50 A63 A65 L141 V143F50-L145 HydrophobicContact CD2-CD1 4.32Å; F50-L145 HydrophobicContact CE2-CD1 4.09Å; F50-L145 HydrophobicContact CE2-CD2 4.37Å; F50-L145 HydrophobicContact CE2-CG 4.36Å; A63-L145 HydrophobicContact CB-CD2 3.77Å; A65-L145 HydrophobicContact CB-CD1 3.62Å; A65-L145 VanDerWaalsContact N-CD1 3.33Å; L141-L145 HydrophobicContact CD2-CB 4.14Å; L141-L145 HydrophobicContact CD2-CD1 3.71Å; L141-L145 HydrophobicContact CD2-CG 3.79Å; V143-L145 HydrophobicContact CG1-CD2 3.77Å; V143-L145 HydrophobicContact CG1-CG 4.39Å; V143-L145 PolarHBondContact O-N 3.13Å
146E81.6Confident87.1Confident193 Ų19358.7 Ų58.790%0.90235%0.354SS*.  trans-106.1146.5173.4-65.6-177.9179.700110
147G82.4Confident88.1Confident81 Ų8156.2 Ų56.284%0.83535%0.346SS*.SBendtrans85.6178.5176.800000115
148S86.4Confident88.9Confident116 Ų11656.9 Ų56.981%0.81135%0.354SS*.  trans-83165.7177.857.40000111.7D150S148-D150 PolarHBondContact O-N 3.16Å
149H90Very high89.3Confident36 Ų3659.3 Ų59.317%0.16736%0.364CS..  trans-56.1127.8169.2-178.245.9000110.9Q66 T151 C157Q66-H149 PolarHBondContact OE1-CD2 3.26Å; Q66-H149 VanDerWaalsContact OE1-CD2 3.25Å; H149-T151 VanDerWaalsContact C-N 3.34Å; H149-T151 PolarHBondContact O-N 3.11Å; H149-C157 PolarHBondContact NE2-SG 3Å
150D91.4Very high89.6Confident36 Ų3661 Ų6119%0.19338%0.384CS..  trans-76.685.7175.8-174.7-7.1000110.6Q94 S148 A152 N153 C154Q94-D150 WeakPolarHBondContact CG-OD2 3.4Å; Q94-D150 PolarHBondContact NE2-OD2 3.03Å; S148-D150 PolarHBondContact O-N 3.16Å; D150-A152 VanDerWaalsContact C-N 3.29Å; D150-A152 PolarHBondContact O-N 2.98Å; D150-A152 PolarHBondContact OD1-N 3.3Å; D150-N153 VanDerWaalsContact CG-ND2 3.31Å; D150-N153 PolarHBondContact OD1-N 3.28Å; D150-N153 VanDerWaalsContact OD1-N 3.16Å; D150-N153 PolarHBondContact OD1-ND2 3.07Å; D150-N153 VanDerWaalsContact OD1-ND2 3.13Å; D150-N153 WeakPolarHBondContact OD2-CB 3.24Å; D150-N153 PolarHBondContact OD2-ND2 3.41Å; D150-C154 VanDerWaalsContact O-CB 3.3Å; D150-C154 WeakPolarHBondContact O-CB 3.43Å; D150-C154 PolarHBondContact O-N 3.45Å
151T92.8Very high89.8Confident88 Ų8859 Ų5954%0.5437%0.374SS..THydrogen-bonded Turntrans-67.3-30.2-178.154.90000112.7H149 C157H149-T151 VanDerWaalsContact C-N 3.34Å; H149-T151 PolarHBondContact O-N 3.11Å; T151-C157 WeakPolarHBondContact O-CB 3.31Å
152A92.6Very high89.9Confident71 Ų7158.6 Ų58.659%0.58737%0.372SS*.THydrogen-bonded Turntrans-70.3-33.8-177.400000112.3D150D150-A152 VanDerWaalsContact C-N 3.29Å; D150-A152 PolarHBondContact O-N 2.98Å; D150-A152 PolarHBondContact OD1-N 3.3Å
153N95.3Very high89Confident36 Ų3658.2 Ų58.219%0.19339%0.39CS..THydrogen-bonded Turntrans-99.5-2.3-179.4-65.7-64.3000113.8Q91 R92 D150Q91-N153 CarbonylContact C-O 3.58Å; Q91-N153 VanDerWaalsContact CA-O 3.29Å; Q91-N153 WeakPolarHBondContact CA-O 3.33Å; R92-N153 HydrophobicContact CB-CB 3.94Å; R92-N153 PolarHBondContact N-O 3.27Å; D150-N153 VanDerWaalsContact CG-ND2 3.31Å; D150-N153 PolarHBondContact OD1-N 3.28Å; D150-N153 VanDerWaalsContact OD1-N 3.16Å; D150-N153 PolarHBondContact OD1-ND2 3.07Å; D150-N153 VanDerWaalsContact OD1-ND2 3.13Å; D150-N153 WeakPolarHBondContact OD2-CB 3.24Å; D150-N153 PolarHBondContact OD2-ND2 3.41Å
154C95.7Very high87.8Confident3 Ų360.2 Ų60.22%0.0240%0.396CS..BIsolated β-bridgetrans-86.9122.3-179.6179.40000112.4D150 A156 C157 T158D150-C154 VanDerWaalsContact O-CB 3.3Å; D150-C154 WeakPolarHBondContact O-CB 3.43Å; D150-C154 PolarHBondContact O-N 3.45Å; C154-A156 VanDerWaalsContact C-N 3.34Å; C154-A156 PolarHBondContact O-N 3.06Å; C154-C157 HydrophobicContact CB-CB 3.93Å; C154-C157 WeakPolarHBondContact O-CB 3.45Å; C154-C157 PolarHBondContact O-N 2.91Å; C154-C157 VanDerWaalsContact O-N 3.16Å; C154-T158 PolarHBondContact O-N 2.71Å
155E96.4Very high86.2Confident29 Ų2959.4 Ų59.414%0.13639%0.394CS..Hα-helixtrans-56.6-47.5178.1-171.7-172.8-179.100111.6R87 F89 G90 Y101 C157 T158 L159R87-E155 IonicContact CZ-OE1 3.69Å; R87-E155 IonicContact NE-OE1 3.93Å; R87-E155 IonicContact NH2-OE1 2.69Å; R87-E155 PolarHBondContact NH2-OE1 2.87Å; F89-E155 WeakPolarHBondContact CA-OE2 3.44Å; F89-E155 HydrophobicContact CB-CB 4.33Å; F89-E155 HydrophobicContact CD1-CB 4.37Å; F89-E155 HydrophobicContact CD1-CG 4.06Å; G90-E155 PolarHBondContact N-OE2 3.31Å; G90-E155 VanDerWaalsContact O-CB 3.23Å; G90-E155 WeakPolarHBondContact O-CB 3.31Å; G90-E155 PolarHBondContact O-N 2.93Å; Y101-E155 HydrophobicContact CD1-CB 3.58Å; Y101-E155 HydrophobicContact CD1-CG 4.23Å; Y101-E155 HydrophobicContact CD2-CB 4.31Å; Y101-E155 HydrophobicContact CD2-CG 4.04Å; Y101-E155 HydrophobicContact CE1-CB 3.6Å; Y101-E155 HydrophobicContact CE1-CG 4.25Å; Y101-E155 HydrophobicContact CE2-CB 4.33Å; Y101-E155 HydrophobicContact CE2-CG 4.07Å; Y101-E155 HydrophobicContact CG-CB 3.96Å; Y101-E155 HydrophobicContact CG-CG 4.13Å; E155-C157 VanDerWaalsContact C-N 3.28Å; E155-C157 PolarHBondContact O-N 2.9Å; E155-T158 PolarHBondContact O-N 2.89Å; E155-T158 VanDerWaalsContact O-N 3.09Å; E155-T158 PolarHBondContact O-OG1 3.12Å; E155-L159 HydrophobicContact CG-CD1 4.4Å; E155-L159 PolarHBondContact O-N 3.46Å
156A95.1Very high85Confident0 Ų058.2 Ų58.20%039%0.388CS..Hα-helixtrans-63.6-32-179.700000113.1Q68 F89 C154 L159 G160 I161Q68-A156 HydrophobicContact CB-CB 3.64Å; Q68-A156 HydrophobicContact CG-CB 3.34Å; F89-A156 HydrophobicContact CB-CB 3.86Å; F89-A156 HydrophobicContact CD1-CB 3.98Å; F89-A156 HydrophobicContact CD2-CB 4.28Å; F89-A156 HydrophobicContact CG-CB 3.77Å; C154-A156 VanDerWaalsContact C-N 3.34Å; C154-A156 PolarHBondContact O-N 3.06Å; A156-L159 CarbonylContact O-C 3.58Å; A156-L159 PolarHBondContact O-N 3.48Å; A156-G160 PolarHBondContact O-N 3.08Å; A156-I161 HydrophobicContact CB-CB 4.12Å; A156-I161 WeakPolarHBondContact O-CB 3.28Å; A156-I161 PolarHBondContact O-N 3.21Å
157C94Very high83.7Confident30 Ų3058.5 Ų58.520%0.20339%0.387CS..Hα-helixtrans-65.9-41.9173-76.30000111.5H149 T151 C154 E155 L159 G160 C162H149-C157 PolarHBondContact NE2-SG 3Å; T151-C157 WeakPolarHBondContact O-CB 3.31Å; C154-C157 HydrophobicContact CB-CB 3.93Å; C154-C157 WeakPolarHBondContact O-CB 3.45Å; C154-C157 PolarHBondContact O-N 2.91Å; C154-C157 VanDerWaalsContact O-N 3.16Å; E155-C157 VanDerWaalsContact C-N 3.28Å; E155-C157 PolarHBondContact O-N 2.9Å; C157-L159 PolarHBondContact O-N 2.99Å; C157-G160 PolarHBondContact O-N 3.46Å; C157-C162 WeakPolarHBondContact SG-CB 3.17Å; C157-C162 PolarHBondContact SG-SG 3.24Å
158T93.5Very high82.5Confident79 Ų7956.3 Ų56.349%0.48536%0.358SS..Hα-helixtrans-63.1-22.6177.6650000113.2Y101 C154 E155Y101-T158 VanDerWaalsContact OH-CG2 3.32Å; Y101-T158 WeakPolarHBondContact OH-CG2 3.23Å; Y101-T158 PolarHBondContact OH-OG1 3.33Å; C154-T158 PolarHBondContact O-N 2.71Å; E155-T158 PolarHBondContact O-N 2.89Å; E155-T158 VanDerWaalsContact O-N 3.09Å; E155-T158 PolarHBondContact O-OG1 3.12Å
159L91.8Very high81.3Confident90 Ų9055.6 Ų55.647%0.47134%0.339SS..THydrogen-bonded Turntrans-974.8175.8-59.8173000113.1F89 E155 A156 C157 I161F89-L159 HydrophobicContact CD1-CD1 4.21Å; F89-L159 HydrophobicContact CE1-CD1 3.68Å; E155-L159 HydrophobicContact CG-CD1 4.4Å; E155-L159 PolarHBondContact O-N 3.46Å; A156-L159 CarbonylContact O-C 3.58Å; A156-L159 PolarHBondContact O-N 3.48Å; C157-L159 PolarHBondContact O-N 2.99Å; L159-I161 VanDerWaalsContact C-N 3.29Å; L159-I161 HydrophobicContact CB-CD1 3.92Å; L159-I161 HydrophobicContact CB-CG1 4.03Å; L159-I161 HydrophobicContact CD1-CD1 4.26Å; L159-I161 PolarHBondContact O-N 2.98Å
160G89.3Confident80.5Confident47 Ų4757.4 Ų57.449%0.48535%0.348SS..THydrogen-bonded Turntrans749.5179.100000115.8A156 C157A156-G160 PolarHBondContact O-N 3.08Å; C157-G160 PolarHBondContact O-N 3.46Å
161I88.6Confident79.8Confident7 Ų758.2 Ų58.24%0.03635%0.354CS..  trans-77.8-40.5-172.1-59.1172.2000111.8L35 F89 A156 L159 G163 Q164L35-I161 HydrophobicContact CB-CD1 4.3Å; L35-I161 HydrophobicContact CB-CG1 4.23Å; L35-I161 HydrophobicContact CD2-CG1 4.04Å; F89-I161 HydrophobicContact CD1-CD1 4.37Å; F89-I161 HydrophobicContact CE1-CD1 3.49Å; F89-I161 VanDerWaalsContact CE1-CD1 3.49Å; F89-I161 HydrophobicContact CE2-CD1 3.99Å; F89-I161 HydrophobicContact CZ-CD1 3.25Å; A156-I161 HydrophobicContact CB-CB 4.12Å; A156-I161 WeakPolarHBondContact O-CB 3.28Å; A156-I161 PolarHBondContact O-N 3.21Å; L159-I161 VanDerWaalsContact C-N 3.29Å; L159-I161 HydrophobicContact CB-CD1 3.92Å; L159-I161 HydrophobicContact CB-CG1 4.03Å; L159-I161 HydrophobicContact CD1-CD1 4.26Å; L159-I161 PolarHBondContact O-N 2.98Å; I161-G163 PolarHBondContact O-N 2.77Å; I161-G163 VanDerWaalsContact O-N 3.07Å; I161-Q164 PolarHBondContact O-N 3.33Å
162C86.3Confident78.7Confident13 Ų1363.1 Ų63.19%0.08837%0.368CS..THydrogen-bonded Turntrans-60-25.7-175.5-74.70000114.1R48 Q68 C157R48-C162 PolarHBondContact NH2-O 2.85Å; Q68-C162 WeakPolarHBondContact CG-SG 3.49Å; Q68-C162 PolarHBondContact NE2-SG 2.83Å; Q68-C162 VanDerWaalsContact NE2-SG 3.41Å; C157-C162 WeakPolarHBondContact SG-CB 3.17Å; C157-C162 PolarHBondContact SG-SG 3.24Å
163G68.4Low77.5Confident72 Ų7261.9 Ų61.974%0.74235%0.354SS*.THydrogen-bonded Turntrans-79.6-9.8-174.300000115.8I161 G165I161-G163 PolarHBondContact O-N 2.77Å; I161-G163 VanDerWaalsContact O-N 3.07Å; G163-G165 PolarHBondContact O-N 2.75Å
164Q62.1Low75.8Confident96 Ų9664.2 Ų64.245%0.44937%0.373SS..SBendtrans-79.232.7-168.6-66.4-172.4-15.100115.7L35 I161 L166L35-Q164 VanDerWaalsContact CD2-NE2 3.26Å; I161-Q164 PolarHBondContact O-N 3.33Å; Q164-L166 VanDerWaalsContact C-N 3.32Å; Q164-L166 PolarHBondContact O-N 3.02Å
165G51.8Low73.6Confident58 Ų5874.2 Ų74.260%0.59842%0.416SS*.  trans69.222.2167.600000115.7G163 K167G163-G165 PolarHBondContact O-N 2.75Å; G165-K167 PolarHBondContact O-N 3.47Å
166L60.1Low71.1Confident42 Ų4276.7 Ų76.722%0.2244%0.437CS..  trans-59.8106.4172.3-120.281.8000110.2Q46 R48 Q164 S168Q46-L166 HydrophobicContact CB-CD1 3.75Å; Q46-L166 HydrophobicContact CB-CD2 4.22Å; R48-L166 HydrophobicContact CG-CD2 3.91Å; R48-L166 PolarHBondContact NH1-O 2.9Å; Q164-L166 VanDerWaalsContact C-N 3.32Å; Q164-L166 PolarHBondContact O-N 3.02Å; L166-S168 VanDerWaalsContact C-N 3.31Å; L166-S168 PolarHBondContact O-N 3.21Å; L166-S168 VanDerWaalsContact O-N 3.08Å
167K53.2Low68.6Low199 Ų19982.4 Ų82.487%0.86547%0.474SS*.  trans-82.474.9175.2-66.5-174.6-178.3-178.10109.8G165G165-K167 PolarHBondContact O-N 3.47Å
168S57.6Low65.9Low34 Ų3489.6 Ų89.624%0.23851%0.51CS..PPolyproline II helixtrans-83.4117.7168.459.40000109.6R48 L166R48-S168 WeakPolarHBondContact CD-OG 3Å; L166-S168 VanDerWaalsContact C-N 3.31Å; L166-S168 PolarHBondContact O-N 3.21Å; L166-S168 VanDerWaalsContact O-N 3.08Å
169Y62.5Low63.5Low102 Ų10290.3 Ų90.340%0.452%0.518SS..PPolyproline II helixtrans-75.4126.2167.525.1-80.1000108.5P135 E136 P138 V139P135-Y169 VanDerWaalsContact C-OH 3.27Å; P135-Y169 WeakPolarHBondContact CA-OH 3.29Å; P135-Y169 VanDerWaalsContact CB-OH 3.26Å; P135-Y169 WeakPolarHBondContact CB-OH 3.33Å; E136-Y169 VanDerWaalsContact CA-OH 3.31Å; E136-Y169 WeakPolarHBondContact CA-OH 3.39Å; E136-Y169 PolarHBondContact N-OH 3.22Å; E136-Y169 WeakPolarHBondContact O-CE2 3.4Å; E136-Y169 PolarHBondContact O-OH 3.07Å; P138-Y169 WeakPolarHBondContact CA-O 3.45Å; P138-Y169 HydrophobicContact CB-CD2 3.57Å; P138-Y169 HydrophobicContact CB-CE2 4.06Å; P138-Y169 WeakPolarHBondContact CB-O 3.27Å; P138-Y169 HydrophobicContact CG-CD2 3.83Å; P138-Y169 HydrophobicContact CG-CE2 4.05Å; V139-Y169 PolarHBondContact N-O 3.23Å; V139-Y169 VanDerWaalsContact N-O 3.08Å
170M72Confident61.2Low74 Ų7494 Ų9437%0.36553%0.532SS..EExtended strand (participates in β ladder)trans-102.7133.8177.2-64.9-170.2178.400109.6A65 Q66 V139 L141A65-M170 HydrophobicContact CB-CE 3.71Å; A65-M170 HydrophobicContact CB-SD 3.67Å; A65-M170 WeakPolarHBondContact O-CE 3.21Å; Q66-M170 HydrophobicContact CG-CE 3.79Å; V139-M170 HydrophobicContact CB-CG 4.22Å; V139-M170 WeakPolarHBondContact O-CA 3.46Å; L141-M170 HydrophobicContact CD1-CB 3.89Å; L141-M170 HydrophobicContact CD1-SD 4.4Å
171T76.1Confident58.9Low52 Ų5299.9 Ų99.932%0.31955%0.552SS.*EExtended strand (participates in β ladder)trans-98.2144.4172.857.50000110.7P138 V139 I140 L141P138-T171 HydrophobicContact CB-CG2 3.83Å; P138-T171 HydrophobicContact CG-CG2 4.05Å; V139-T171 PolarHBondContact O-N 3.45Å; I140-T171 WeakPolarHBondContact CA-OG1 3.44Å; I140-T171 WeakPolarHBondContact CG1-OG1 3.43Å; L141-T171 WeakPolarHBondContact CD1-O 3.38Å; L141-T171 PolarHBondContact N-O 2.99Å
172K71.1Confident56.4Low191 Ų191108.9 Ų108.983%0.8359%0.591SS**PPolyproline II helixtrans-57.7152.4174.1-66.8-178.5-179.9179.20111S174K172-S174 PolarHBondContact O-N 3.3Å
173P67.3Low54Low45 Ų45114.3 Ų114.329%0.29262%0.623SS.*PPolyproline II helixtrans-55137.5174.6-19.928.6000112L141 V143 A144 K175L141-P173 HydrophobicContact CB-CG 3.89Å; L141-P173 VanDerWaalsContact O-CA 3.27Å; L141-P173 WeakPolarHBondContact O-CA 3.45Å; V143-P173 WeakPolarHBondContact O-CG 3.41Å; A144-P173 HydrophobicContact CB-CG 4.38Å; P173-K175 PolarHBondContact O-N 2.88Å
174S59.2Low52.3Low86 Ų86114.5 Ų114.560%0.60162%0.618SS**PPolyproline II helixtrans-65.9129.1171.91760000109.4K172 S176K172-S174 PolarHBondContact O-N 3.3Å; S174-S176 PolarHBondContact O-N 2.87Å; S174-S176 PolarHBondContact OG-N 2.81Å; S174-S176 PolarHBondContact OG-OG 2.74Å
175K49.1Very low51Low212 Ų212117.8 Ų117.892%0.92264%0.639SS**  trans-78.135.4173.9-65-174.4178.5-178.80112.5P173P173-K175 PolarHBondContact O-N 2.88Å
176S44Very low50.2Low81 Ų81120.1 Ų120.157%0.56665%0.646SS**  trans-88.1127178.346.90000110.2S174 L178S174-S176 PolarHBondContact O-N 2.87Å; S174-S176 PolarHBondContact OG-N 2.81Å; S174-S176 PolarHBondContact OG-OG 2.74Å; S176-L178 PolarHBondContact O-N 2.9Å
177P43.3Very low49Very low121 Ų121123.2 Ų123.279%0.78667%0.671SS**  trans-63.9123.5176.7-15.328.4000110.2S179P177-S179 PolarHBondContact O-N 3.48Å
178L37.5Very low48.8Very low181 Ų181119.6 Ų119.695%0.94867%0.668SS**  trans-67.199.7171.8-16588.5000108.5S176S176-L178 PolarHBondContact O-N 2.9Å
179S42.8Very low47.5Very low94 Ų94123 Ų12366%0.65770%0.698SS**  trans-91.6136.517462.20000111.1P177P177-S179 PolarHBondContact O-N 3.48Å
180H44.3Very low46.1Very low167 Ų167126.7 Ų126.777%0.77372%0.723SS**  trans87.887.6165.6-69.4-89000119
181L40.8Very low44Very low170 Ų170126.4 Ų126.489%0.8974%0.739SS**  -137.579.6124.1-98.8158.4000107.5
182K35.1Very low41.8Very low197 Ų197128.9 Ų128.986%0.85777%0.765SS**  trans-96.498.8159.3-101-176.4178.6178.90106.6A184K182-A184 PolarHBondContact O-N 3.09Å
183T35Very low39.8Very low126 Ų126124.6 Ų124.677%0.77377%0.765SS**  trans-69.3115.3159-53.70000106.9
184A33.8Very low37.8Very low77 Ų77132.3 Ų132.364%0.63679%0.789SS**  trans-65.9139.8170.600000109.8K182K182-A184 PolarHBondContact O-N 3.09Å
185N34.4Very low36.6Very low165 Ų165134.5 Ų134.588%0.88279%0.793SS**  trans-150.2102.2143.5-90.3-14.6000107
186S35.1Very low36.2Very low106 Ų106129.4 Ų129.474%0.74178%0.782SS**  trans-69.4153.4154.917.20000108.4
187S35.6Very low35.6Very low107 Ų107133.8 Ų133.875%0.74880%0.799SS**  cis-176.3-1623.8-85.60000105.2
188P48.3Very low35Very low124 Ų124137.2 Ų137.281%0.80580%0.804SS**  -126.6169.7-6135.3-19.6000112.7
189A31.1Very low34.6Very low104 Ų104132.1 Ų132.186%0.8680%0.795SS**  trans-162.4149.8145.800000111.4
190I31.8Very low34Very low180 Ų180136 Ų13692%0.92380%0.8SS**  trans-93.1152.2-161.6-70.4167.5000111.3
191G28.2Very low33.5Very low68 Ų68136 Ų13670%0.70181%0.806SS**  trans131.592.2140.700000119.3
192A30.4Very low33Very low105 Ų105135.7 Ų135.787%0.86880%0.8SS**  trans75.6125.213500000123.5
193A27.9Very low32.8Very low100 Ų100132 Ų13283%0.82680%0.799SS**  trans84.6102.3131.700000122.4
194Y25.8Very low32.6Very low207 Ų207130.1 Ų130.181%0.81280%0.796SS**  trans22.1114.7133.3-105.8-111.1000122.6
195I33.6Very low32.5Very low132 Ų132135.2 Ų135.268%0.67781%0.807SS**  64.5146.6111.5-72.2-159.1000121.3
196P41.5Very low32.4Very low106 Ų106133.4 Ų133.469%0.68880%0.802SS**  -118.3-170.5-81.737-13000110.1
197N31.1Very low32.5Very low172 Ų172138.2 Ų138.292%0.9281%0.81SS**  trans-152.1138.1150.2-106.4-28.6000113.8
198Q32Very low32.3Very low194 Ų194142.1 Ų142.191%0.90782%0.816SS**  trans-89.5147.8179.6-152.5-178.814.800108.6
199G29.2Very low31.6Very low73 Ų73141.4 Ų141.475%0.75382%0.82SS**  trans168.192.9169.600000116
200K29.8Very low31.8Very low177 Ų177145.3 Ų145.377%0.7782%0.818SS**  trans-0.9140.1152.4-79.8169.8169.3171.60117.7
201N32.4Very low31.7Very low167 Ų167140.5 Ų140.589%0.89381%0.813SS**  -155.3150.1115.3-87.2-27.8000112.1
202Q30.6Very low32Very low162 Ų162147.4 Ų147.476%0.75782%0.818SS**  trans-93.6170.6-164.4-65.5170.3-19.100113.2
203S32.3Very low31.9Very low119 Ų119146.2 Ų146.283%0.83282%0.816SS**  trans76.1151.9150.582.50000116.6
204A30.4Very low32.1Very low87 Ų87151.5 Ų151.572%0.71982%0.816SS**  cis-168.3175.6-22.300000105.5
205E31.6Very low32.3Very low185 Ų185151 Ų15186%0.86482%0.821SS**  trans89.189.2163.2-60.1-168.6136.300119.5
206T32Very low32.3Very low126 Ų126153.8 Ų153.877%0.77383%0.828SS**  1.7130.5119-38.20000117.8
207K38Very low32Very low208 Ų208157.1 Ų157.190%0.90484%0.84SS**  trans-157.5114.2131.6-105.1167.9-165.8-178.60110.6
208E31.5Very low32.1Very low189 Ų189152.2 Ų152.288%0.88383%0.829SS**  trans-65.5146.3159-71-176.2128.200110.1
209A32.6Very low32.5Very low109 Ų109149.3 Ų149.390%0.90183%0.827SS**  trans-153133.7143.200000110.7
210K35.6Very low32.6Very low186 Ų186150.9 Ų150.981%0.80983%0.827SS**  trans-98.1143.5-170.7-165.8179.3-164.6167.10108.5
211G28.7Very low33.2Very low79 Ų79152.5 Ų152.581%0.81483%0.828SS**  trans-160103171.400000112.5
212R34.9Very low33.7Very low212 Ų212151.5 Ų151.580%0.882%0.823SS**  trans-77149173.2-75.5-174.7-116.5-120.83.5111
213G28.6Very low34.5Very low81 Ų81148.2 Ų148.284%0.83582%0.816SS**  trans-153.9110.7156.900000109.9
214Y31.9Very low35.3Very low210 Ų210148.1 Ų148.182%0.82481%0.806SS**  trans-84.2133.6170.7-99.3-103.7000108.8
215E30.7Very low36.5Very low197 Ų197149 Ų14992%0.92180%0.804SS**  trans-138.6130.6146.2-76.4-166.8153.500110.4
216K32.3Very low37.6Very low190 Ų190147 Ų14783%0.82680%0.798SS**  trans-120.6119-177.7176.6-173-176-176.10105.9
217L35.3Very low38.7Very low177 Ų177145.4 Ų145.493%0.92779%0.785SS**  trans-138.2120.5161.6-96.1151.6000107.3
218G34.7Very low39.9Very low68 Ų68140.1 Ų140.170%0.70177%0.766SS**  trans-82.6-176.3-163.900000115.5
219P38.8Very low41.4Very low133 Ų133134.4 Ų134.486%0.86475%0.746SS**  trans-94.4136.2174.535.3-27000110.8
220S31.9Very low43.1Very low107 Ų107133 Ų13375%0.74873%0.726SS**  trans-117.9122.5156.6-1760000108.4
221R42.6Very low44.8Very low210 Ų210130 Ų13079%0.79271%0.714SS**  trans-126.5100.5167.2-80.2-175.2176.6166.2-1.3105.9
222D42.3Very low47Very low146 Ų146130 Ų13078%0.78170%0.698SS**PPolyproline II helixtrans-95.3125.5155.2-77.6-39.5000107.4
223P48.2Very low49Very low94 Ų94124.8 Ų124.861%0.6169%0.685SS**PPolyproline II helixtrans-75.9127170.927.4-28.5000110.1
224D49.9Very low51.2Low117 Ų117125.5 Ų125.563%0.62667%0.669SS**PPolyproline II helixtrans-54.2128.2178.6-68.3-48.4000111.9L226 N227D224-L226 PolarHBondContact O-N 3.36Å; D224-L226 VanDerWaalsContact O-N 3.09Å; D224-N227 WeakPolarHBondContact O-CB 3.48Å; D224-N227 PolarHBondContact O-N 3.35Å
225P53.9Low53.3Low106 Ų106120.4 Ų120.469%0.68866%0.656SS**Hα-helixtrans-62.5-20.8-177.220.9-30.6000113.7C229P225-C229 PolarHBondContact O-N 2.94Å
226L56Low55.7Low141 Ų141114.7 Ų114.774%0.73863%0.634SS**Hα-helixtrans-68-34173.6-80.9160.9000112.6D224 C229 V230D224-L226 PolarHBondContact O-N 3.36Å; D224-L226 VanDerWaalsContact O-N 3.09Å; L226-C229 PolarHBondContact O-N 2.78Å; L226-V230 WeakPolarHBondContact O-CG2 3.36Å; L226-V230 PolarHBondContact O-N 2.53Å
227N55.4Low58Low94 Ų94112.6 Ų112.650%0.50363%0.625SS.*Hα-helixtrans-72.8-39.5-178.1-151.2-9.3000110.6D224 C229 V230 F231D224-N227 WeakPolarHBondContact O-CB 3.48Å; D224-N227 PolarHBondContact O-N 3.35Å; N227-C229 VanDerWaalsContact C-N 3.31Å; N227-C229 PolarHBondContact O-N 3.28Å; N227-V230 PolarHBondContact O-N 3.03Å; N227-F231 VanDerWaalsContact O-CD2 3.25Å; N227-F231 WeakPolarHBondContact O-CD2 3.29Å; N227-F231 PolarHBondContact O-N 3.41Å; N227-F231 VanDerWaalsContact O-N 3.16Å; N227-F231 WeakPolarHBondContact OD1-CE2 3.35Å
228I62.8Low60.1Low96 Ų96108.9 Ų108.949%0.49261%0.605SS.*Hα-helixtrans-60.2-42.2173.9-60.3174.2000110.7V230 F231 V232I228-V230 VanDerWaalsContact C-N 3.34Å; I228-V230 PolarHBondContact O-N 3.41Å; I228-F231 PolarHBondContact O-N 2.8Å; I228-V232 HydrophobicContact CG2-CG2 4.46Å; I228-V232 WeakPolarHBondContact O-CG2 3.48Å; I228-V232 PolarHBondContact O-N 2.89Å
229C62.1Low62.1Low70 Ų70110.1 Ų110.147%0.47360%0.595SS.*Hα-helixtrans-64.7-37.3-179.4-154.40000112.4P225 L226 N227 L233P225-C229 PolarHBondContact O-N 2.94Å; L226-C229 PolarHBondContact O-N 2.78Å; N227-C229 VanDerWaalsContact C-N 3.31Å; N227-C229 PolarHBondContact O-N 3.28Å; C229-L233 WeakPolarHBondContact O-CB 3.32Å; C229-L233 VanDerWaalsContact O-CG 3.26Å; C229-L233 WeakPolarHBondContact O-CG 3.36Å; C229-L233 PolarHBondContact O-N 3.32Å
230V69.1Low64Low79 Ų79107.6 Ų107.648%0.47958%0.577SS.*Hα-helixtrans-68.4-40.5176.8174.80000111.6L226 N227 I228 L233 L234L226-V230 WeakPolarHBondContact O-CG2 3.36Å; L226-V230 PolarHBondContact O-N 2.53Å; N227-V230 PolarHBondContact O-N 3.03Å; I228-V230 VanDerWaalsContact C-N 3.34Å; I228-V230 PolarHBondContact O-N 3.41Å; V230-L233 PolarHBondContact O-N 3.46Å; V230-L234 HydrophobicContact CG1-CD1 3.93Å; V230-L234 WeakPolarHBondContact O-CB 3.42Å; V230-L234 WeakPolarHBondContact O-CG 3.37Å; V230-L234 PolarHBondContact O-N 2.98Å
231F69.9Low66Low124 Ų124109.8 Ų109.854%0.54457%0.573SS.*Hα-helixtrans-64.5-41.5175.9-85.5-74.9000112.6N227 I228 L234 L235N227-F231 VanDerWaalsContact O-CD2 3.25Å; N227-F231 WeakPolarHBondContact O-CD2 3.29Å; N227-F231 PolarHBondContact O-N 3.41Å; N227-F231 VanDerWaalsContact O-N 3.16Å; N227-F231 WeakPolarHBondContact OD1-CE2 3.35Å; I228-F231 PolarHBondContact O-N 2.8Å; F231-L234 PolarHBondContact O-N 3.47Å; F231-L235 WeakPolarHBondContact O-CB 3.16Å; F231-L235 VanDerWaalsContact O-CG 3.32Å; F231-L235 WeakPolarHBondContact O-CG 3.49Å; F231-L235 PolarHBondContact O-N 3.11Å
232V75.3Confident67.1Low79 Ų79103.3 Ų103.348%0.47956%0.559SS.*Hα-helixtrans-65.4-43.5177.5174.30000110.8I228 L235 V236I228-V232 HydrophobicContact CG2-CG2 4.46Å; I228-V232 WeakPolarHBondContact O-CG2 3.48Å; I228-V232 PolarHBondContact O-N 2.89Å; V232-L235 PolarHBondContact O-N 2.87Å; V232-V236 VanDerWaalsContact O-CG2 3.31Å; V232-V236 WeakPolarHBondContact O-CG2 3.35Å; V232-V236 PolarHBondContact O-N 3.24Å
233L78.1Confident68.3Low102 Ų102103.7 Ų103.753%0.53455%0.554SS.*Hα-helixtrans-65.1-39.7177.6-71.1170.7000112.4C229 V230 V236 F237C229-L233 WeakPolarHBondContact O-CB 3.32Å; C229-L233 VanDerWaalsContact O-CG 3.26Å; C229-L233 WeakPolarHBondContact O-CG 3.36Å; C229-L233 PolarHBondContact O-N 3.32Å; V230-L233 PolarHBondContact O-N 3.46Å; L233-V236 PolarHBondContact O-N 3.08Å; L233-F237 WeakPolarHBondContact O-CB 3.47Å; L233-F237 WeakPolarHBondContact O-CD2 3.47Å; L233-F237 PolarHBondContact O-N 3.37Å
234L73.8Confident69.1Low96 Ų96103.9 Ų103.950%0.50355%0.554SS.*Hα-helixtrans-64.2-42.3174.9-81.6166.2000112.1V230 F231 F237 I238V230-L234 HydrophobicContact CG1-CD1 3.93Å; V230-L234 WeakPolarHBondContact O-CB 3.42Å; V230-L234 WeakPolarHBondContact O-CG 3.37Å; V230-L234 PolarHBondContact O-N 2.98Å; F231-L234 PolarHBondContact O-N 3.47Å; L234-F237 PolarHBondContact O-N 3.23Å; L234-I238 WeakPolarHBondContact O-CD1 3.35Å; L234-I238 VanDerWaalsContact O-CG1 3.23Å; L234-I238 WeakPolarHBondContact O-CG1 3.49Å; L234-I238 PolarHBondContact O-N 3.14Å
235L77.3Confident69.4Low103 Ų103102.8 Ų102.854%0.53956%0.555SS.*Hα-helixtrans-63.1-43.6176.3-75.6168.7000111.6F231 V232 F237 I238 I239F231-L235 WeakPolarHBondContact O-CB 3.16Å; F231-L235 VanDerWaalsContact O-CG 3.32Å; F231-L235 WeakPolarHBondContact O-CG 3.49Å; F231-L235 PolarHBondContact O-N 3.11Å; V232-L235 PolarHBondContact O-N 2.87Å; L235-F237 PolarHBondContact O-N 3.09Å; L235-I238 PolarHBondContact O-N 2.61Å; L235-I239 WeakPolarHBondContact O-CB 3.27Å; L235-I239 WeakPolarHBondContact O-CD1 3.47Å; L235-I239 VanDerWaalsContact O-CG1 3.22Å; L235-I239 WeakPolarHBondContact O-CG1 3.35Å; L235-I239 PolarHBondContact O-N 2.86Å
236V80.6Confident69.4Low77 Ų77105.7 Ų105.747%0.46756%0.559SS.*Hα-helixtrans-62.9-42.3175.9173.70000111V232 L233 I238 I239 V240V232-V236 VanDerWaalsContact O-CG2 3.31Å; V232-V236 WeakPolarHBondContact O-CG2 3.35Å; V232-V236 PolarHBondContact O-N 3.24Å; L233-V236 PolarHBondContact O-N 3.08Å; V236-I238 PolarHBondContact O-N 2.81Å; V236-I239 PolarHBondContact O-N 3.29Å; V236-V240 HydrophobicContact CG1-CG2 4.36Å; V236-V240 WeakPolarHBondContact O-CB 3.44Å; V236-V240 VanDerWaalsContact O-CG2 3.28Å; V236-V240 WeakPolarHBondContact O-CG2 3.42Å; V236-V240 PolarHBondContact O-N 2.81Å
237F79.8Confident68.9Low145 Ų145107.1 Ų107.164%0.63658%0.581SS**Hα-helixtrans-63.1-39.7176.3-104.1-82.6000113.2L233 L234 L235 K241L233-F237 WeakPolarHBondContact O-CB 3.47Å; L233-F237 WeakPolarHBondContact O-CD2 3.47Å; L233-F237 PolarHBondContact O-N 3.37Å; L234-F237 PolarHBondContact O-N 3.23Å; L235-F237 PolarHBondContact O-N 3.09Å; F237-K241 WeakPolarHBondContact O-CB 3.35Å; F237-K241 PolarHBondContact O-N 3.02Å
238I79.1Confident69.6Low100 Ų100107.8 Ų107.851%0.51359%0.585SS.*Hα-helixtrans-65.9-46.1176.9-69.1164.8000110L234 L235 V236 V240 K241 C242L234-I238 WeakPolarHBondContact O-CD1 3.35Å; L234-I238 VanDerWaalsContact O-CG1 3.23Å; L234-I238 WeakPolarHBondContact O-CG1 3.49Å; L234-I238 PolarHBondContact O-N 3.14Å; L235-I238 PolarHBondContact O-N 2.61Å; V236-I238 PolarHBondContact O-N 2.81Å; I238-V240 PolarHBondContact O-N 3.2Å; I238-K241 PolarHBondContact O-N 3.17Å; I238-C242 PolarHBondContact O-N 3.48Å; I238-C242 PolarHBondContact O-SG 3.33Å; I238-C242 VanDerWaalsContact O-SG 3.35Å
239I78.5Confident70Confident93 Ų93108.4 Ų108.448%0.47759%0.59SS.*Hα-helixtrans-60.4-48.6178.5-68.6166.4000110.4L235 V236 K241 C242 F243L235-I239 WeakPolarHBondContact O-CB 3.27Å; L235-I239 WeakPolarHBondContact O-CD1 3.47Å; L235-I239 VanDerWaalsContact O-CG1 3.22Å; L235-I239 WeakPolarHBondContact O-CG1 3.35Å; L235-I239 PolarHBondContact O-N 2.86Å; V236-I239 PolarHBondContact O-N 3.29Å; I239-K241 VanDerWaalsContact C-N 3.33Å; I239-K241 PolarHBondContact O-N 3.03Å; I239-C242 PolarHBondContact O-N 3.38Å; I239-F243 HydrophobicContact CG2-CD2 3.78Å; I239-F243 HydrophobicContact CG2-CE2 3.79Å; I239-F243 VanDerWaalsContact O-CD2 3.27Å; I239-F243 WeakPolarHBondContact O-CD2 3.11Å; I239-F243 PolarHBondContact O-N 2.96Å; I239-F243 VanDerWaalsContact O-N 3.07Å
240V77.9Confident70.4Confident81 Ų81110.6 Ų110.649%0.49160%0.597SS.*Hα-helixtrans-59.9-43178.4171.30000111.2V236 I238 C242 F243 T244V236-V240 HydrophobicContact CG1-CG2 4.36Å; V236-V240 WeakPolarHBondContact O-CB 3.44Å; V236-V240 VanDerWaalsContact O-CG2 3.28Å; V236-V240 WeakPolarHBondContact O-CG2 3.42Å; V236-V240 PolarHBondContact O-N 2.81Å; I238-V240 PolarHBondContact O-N 3.2Å; V240-C242 PolarHBondContact O-N 3.13Å; V240-F243 PolarHBondContact O-N 3.4Å; V240-T244 HydrophobicContact CG1-CG2 4.38Å; V240-T244 WeakPolarHBondContact O-CG2 3.26Å; V240-T244 PolarHBondContact O-N 2.95Å; V240-T244 PolarHBondContact O-OG1 2.78Å; V240-T244 VanDerWaalsContact O-OG1 3.09Å
241K73.4Confident70.5Confident153 Ų153112.4 Ų112.467%0.66560%0.604SS**Hα-helixtrans-63.7-40.1176.7-87.1-160.1168.9-1800113.3F237 I238 I239 F243 T244 S245F237-K241 WeakPolarHBondContact O-CB 3.35Å; F237-K241 PolarHBondContact O-N 3.02Å; I238-K241 PolarHBondContact O-N 3.17Å; I239-K241 VanDerWaalsContact C-N 3.33Å; I239-K241 PolarHBondContact O-N 3.03Å; K241-F243 VanDerWaalsContact C-N 3.32Å; K241-F243 PolarHBondContact O-N 3.32Å; K241-T244 WeakPolarHBondContact CA-OG1 3.17Å; K241-T244 PolarHBondContact O-N 2.92Å; K241-T244 PolarHBondContact O-OG1 3.28Å; K241-T244 VanDerWaalsContact O-OG1 3.12Å; K241-S245 PolarHBondContact O-N 3.03Å; K241-S245 PolarHBondContact O-OG 3.32Å
242C66.8Low70.5Confident74 Ų74111.7 Ų111.750%0.561%0.607SS.*Hα-helixtrans-62.7-37.2176-730000112.4I238 I239 V240 S245I238-C242 PolarHBondContact O-N 3.48Å; I238-C242 PolarHBondContact O-SG 3.33Å; I238-C242 VanDerWaalsContact O-SG 3.35Å; I239-C242 PolarHBondContact O-N 3.38Å; V240-C242 PolarHBondContact O-N 3.13Å; C242-S245 PolarHBondContact O-OG 3.43Å; C242-S245 VanDerWaalsContact O-OG 3.13Å
243F67.6Low70.2Confident153 Ų153113.9 Ų113.967%0.67162%0.616SS**Hα-helixtrans-77.6-29177.6-81.9-74.1000113.6I239 V240 K241 S245I239-F243 HydrophobicContact CG2-CD2 3.78Å; I239-F243 HydrophobicContact CG2-CE2 3.79Å; I239-F243 VanDerWaalsContact O-CD2 3.27Å; I239-F243 WeakPolarHBondContact O-CD2 3.11Å; I239-F243 PolarHBondContact O-N 2.96Å; I239-F243 VanDerWaalsContact O-N 3.07Å; V240-F243 PolarHBondContact O-N 3.4Å; K241-F243 VanDerWaalsContact C-N 3.32Å; K241-F243 PolarHBondContact O-N 3.32Å; F243-S245 VanDerWaalsContact C-N 3.35Å
244T64.1Low69.6Low99 Ų99114.7 Ų114.761%0.60762%0.622SS**Hα-helixtrans-81-10.4177.854.70000114.4V240 K241V240-T244 HydrophobicContact CG1-CG2 4.38Å; V240-T244 WeakPolarHBondContact O-CG2 3.26Å; V240-T244 PolarHBondContact O-N 2.95Å; V240-T244 PolarHBondContact O-OG1 2.78Å; V240-T244 VanDerWaalsContact O-OG1 3.09Å; K241-T244 WeakPolarHBondContact CA-OG1 3.17Å; K241-T244 PolarHBondContact O-N 2.92Å; K241-T244 PolarHBondContact O-OG1 3.28Å; K241-T244 VanDerWaalsContact O-OG1 3.12Å
245S55.9Low69.3Low94 Ų94116.2 Ų116.266%0.65763%0.631SS**THydrogen-bonded Turntrans-89.43.2176.261.90000114.4K241 C242 F243K241-S245 PolarHBondContact O-N 3.03Å; K241-S245 PolarHBondContact O-OG 3.32Å; C242-S245 PolarHBondContact O-OG 3.43Å; C242-S245 VanDerWaalsContact O-OG 3.13Å; F243-S245 VanDerWaalsContact C-N 3.35Å
246E55Low68.7Low166 Ų166117.3 Ų117.378%0.77664%0.639SS**THydrogen-bonded Turntrans-112.221.6179.3-69.7-171.7154.800113.6
247S45.3Very low67.6Low172 Ų172120.9 Ų120.9100%1.20365%0.654SS**  trans-118.50170.9179.20000112.7

Retrieved 247 of 247 residues in 1184.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).