A0A087YAY8_POEFO Loading...

Exocyst complex component 1 like

AlphaFold DB , UniProt , Accession A0A087YAY8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 189 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
1M56.9Low86.1Confident139 Ų13980.2 Ų80.269%0.68540%0.4SS*.  0136.70-76.4-66.4-134.300109.6S3 F24 I25M1-S3 PolarHBondContact O-N 3.05Å; M1-F24 HydrophobicContact CB-CZ 4.26Å; M1-F24 HydrophobicContact CE-CD2 3.89Å; M1-F24 HydrophobicContact CE-CE2 3.77Å; M1-F24 HydrophobicContact CE-CZ 4.43Å; M1-F24 WeakPolarHBondContact CE-O 3.49Å; M1-F24 HydrophobicContact SD-CE2 4.13Å; M1-F24 HydrophobicContact SD-CZ 4.43Å; M1-I25 VanDerWaalsContact CE-CA 3.44Å; M1-I25 HydrophobicContact CE-CB 4.41Å
2S74.7Confident86.6Confident64 Ų6478.5 Ų78.545%0.44840%0.397SS..  trans-66124.5-175.3178.10000111.8L4 L5 R6S2-L4 VanDerWaalsContact C-N 3.25Å; S2-L4 PolarHBondContact O-N 2.86Å; S2-L5 PolarHBondContact O-N 3.26Å; S2-R6 PolarHBondContact O-N 3.25Å
3S81.4Confident87.1Confident92 Ų9274.5 Ų74.564%0.64338%0.377SS*.Hα-helixtrans-60.7-35.1175.849.30000112.3M1 R6 E7M1-S3 PolarHBondContact O-N 3.05Å; S3-R6 WeakPolarHBondContact O-CB 3.26Å; S3-R6 PolarHBondContact O-N 3.27Å; S3-E7 PolarHBondContact O-N 2.83Å; S3-E7 VanDerWaalsContact O-N 3.09Å
4L88Confident87.7Confident126 Ų12669.1 Ų69.166%0.6635%0.35SS*.Hα-helixtrans-65-45.6179.3-63.6174.5000111.9S2 R6 E7 E8S2-L4 VanDerWaalsContact C-N 3.25Å; S2-L4 PolarHBondContact O-N 2.86Å; L4-R6 VanDerWaalsContact C-N 3.32Å; L4-R6 PolarHBondContact O-N 3.38Å; L4-E7 PolarHBondContact O-N 3.22Å; L4-E8 WeakPolarHBondContact O-CB 3.41Å; L4-E8 PolarHBondContact O-N 3.31Å
5L89.6Confident88.2Confident17 Ų1774.2 Ų74.29%0.08936%0.363CS..Hα-helixtrans-62.2-42.2178.4177.760.1000111.2S2 E7 E8 M9 F24 F36 Y79S2-L5 PolarHBondContact O-N 3.26Å; L5-E7 VanDerWaalsContact C-N 3.34Å; L5-E7 PolarHBondContact O-N 3.21Å; L5-E8 PolarHBondContact O-N 2.72Å; L5-M9 HydrophobicContact CD1-CG 4.06Å; L5-M9 HydrophobicContact CD1-SD 4.03Å; L5-M9 HydrophobicContact CG-CG 4.48Å; L5-M9 HydrophobicContact CG-SD 4.04Å; L5-M9 WeakPolarHBondContact O-CB 3.45Å; L5-M9 WeakPolarHBondContact O-CG 2.98Å; L5-M9 PolarHBondContact O-N 3.16Å; L5-F24 HydrophobicContact CD2-CE2 3.82Å; L5-F24 HydrophobicContact CD2-CZ 4.23Å; L5-F24 HydrophobicContact CG-CE2 4.23Å; L5-F24 HydrophobicContact CG-CZ 4.29Å; L5-F36 HydrophobicContact CD2-CE1 3.92Å; L5-F36 HydrophobicContact CD2-CZ 3.84Å; L5-Y79 HydrophobicContact CD1-CE1 3.94Å; L5-Y79 WeakPolarHBondContact CD1-OH 3.39Å
6R91.9Very high88.5Confident80 Ų8075.3 Ų75.330%0.30238%0.378SS..Hα-helixtrans-57.9-47.8175.5-175.2178.8-90.6-117.21.8111.3S2 S3 L4 Q10 L21 V22 E23 F24S2-R6 PolarHBondContact O-N 3.25Å; S3-R6 WeakPolarHBondContact O-CB 3.26Å; S3-R6 PolarHBondContact O-N 3.27Å; L4-R6 VanDerWaalsContact C-N 3.32Å; L4-R6 PolarHBondContact O-N 3.38Å; R6-Q10 WeakPolarHBondContact O-CB 3.41Å; R6-Q10 PolarHBondContact O-N 2.9Å; R6-L21 HydrophobicContact CG-CD2 4.21Å; R6-V22 PolarHBondContact NH1-O 2.84Å; R6-V22 PolarHBondContact NH2-O 2.84Å; R6-V22 VanDerWaalsContact NH2-O 3.13Å; R6-E23 VanDerWaalsContact NH2-CD 3.33Å; R6-E23 IonicContact NH2-OE1 2.65Å; R6-E23 PolarHBondContact NH2-OE1 2.81Å; R6-E23 IonicContact NH2-OE2 3.04Å; R6-E23 PolarHBondContact NH2-OE2 2.83Å; R6-F24 HydrophobicContact CB-CE1 3.73Å; R6-F24 HydrophobicContact CB-CZ 4.3Å; R6-F24 HydrophobicContact CG-CE1 4.01Å
7E91.9Very high88.8Confident127 Ų12773.4 Ų73.459%0.59338%0.377SS*.Hα-helixtrans-65.8-41.2-179.1-174.8172.5-171.700111.8S3 L4 L5 Q10 R11S3-E7 PolarHBondContact O-N 2.83Å; S3-E7 VanDerWaalsContact O-N 3.09Å; L4-E7 PolarHBondContact O-N 3.22Å; L5-E7 VanDerWaalsContact C-N 3.34Å; L5-E7 PolarHBondContact O-N 3.21Å; E7-Q10 PolarHBondContact O-N 3.31Å; E7-R11 WeakPolarHBondContact O-CB 3.41Å; E7-R11 PolarHBondContact O-N 2.93Å
8E92.1Very high89.1Confident69 Ų6975.9 Ų75.932%0.32239%0.385SS..Hα-helixtrans-62.6-52.2176.3-177.8169.7-158.500111.8L4 L5 Q10 R11 V12 Y79L4-E8 WeakPolarHBondContact O-CB 3.41Å; L4-E8 PolarHBondContact O-N 3.31Å; L5-E8 PolarHBondContact O-N 2.72Å; E8-Q10 VanDerWaalsContact C-N 3.28Å; E8-Q10 PolarHBondContact O-N 2.95Å; E8-R11 PolarHBondContact O-N 3.08Å; E8-V12 HydrophobicContact CG-CG2 4.17Å; E8-V12 WeakPolarHBondContact O-CB 3.34Å; E8-V12 WeakPolarHBondContact O-CG2 3.34Å; E8-V12 PolarHBondContact O-N 3.2Å; E8-Y79 HydrophobicContact CG-CE2 4.18Å
9M92.6Very high89.5Confident0 Ų073.4 Ų73.40%037%0.371CS..Hα-helixtrans-59.2-42.5176.7-70.1178.869.800111L5 R11 L13 F14 L21 F24 F36 C38 V52 Y79L5-M9 HydrophobicContact CD1-CG 4.06Å; L5-M9 HydrophobicContact CD1-SD 4.03Å; L5-M9 HydrophobicContact CG-CG 4.48Å; L5-M9 HydrophobicContact CG-SD 4.04Å; L5-M9 WeakPolarHBondContact O-CB 3.45Å; L5-M9 WeakPolarHBondContact O-CG 2.98Å; L5-M9 PolarHBondContact O-N 3.16Å; M9-R11 VanDerWaalsContact C-N 3.32Å; M9-R11 PolarHBondContact O-N 3.23Å; M9-L13 WeakPolarHBondContact O-CB 3.35Å; M9-L13 PolarHBondContact O-N 3.46Å; M9-F14 HydrophobicContact CB-CD2 4.46Å; M9-F14 HydrophobicContact CB-CE2 4.29Å; M9-F14 HydrophobicContact CE-CE2 4.23Å; M9-F14 WeakPolarHBondContact O-CD2 3.48Å; M9-F14 PolarHBondContact O-N 2.87Å; M9-L21 HydrophobicContact CB-CD2 4.13Å; M9-F24 HydrophobicContact SD-CD2 4.35Å; M9-F24 HydrophobicContact SD-CE2 4.47Å; M9-F36 HydrophobicContact CE-CB 4.24Å; M9-F36 HydrophobicContact CE-CD2 4.39Å; M9-F36 HydrophobicContact CE-CG 4.41Å; M9-F36 HydrophobicContact SD-CD2 4.5Å; M9-C38 WeakPolarHBondContact CE-SG 3.42Å; M9-V52 HydrophobicContact CE-CB 4.06Å; M9-V52 HydrophobicContact CE-CG1 3.97Å; M9-V52 HydrophobicContact CE-CG2 4.04Å; M9-Y79 HydrophobicContact CG-CD1 4.04Å; M9-Y79 HydrophobicContact CG-CE1 3.86Å; M9-Y79 HydrophobicContact SD-CE1 4.38Å
10Q94.5Very high89.8Confident30 Ų3076.9 Ų76.914%0.1438%0.379CS..Iπ-helixtrans-58.3-44.2174.6174.761.27200111.6R6 E7 E8 F14 R15 H19R6-Q10 WeakPolarHBondContact O-CB 3.41Å; R6-Q10 PolarHBondContact O-N 2.9Å; E7-Q10 PolarHBondContact O-N 3.31Å; E8-Q10 VanDerWaalsContact C-N 3.28Å; E8-Q10 PolarHBondContact O-N 2.95Å; Q10-F14 PolarHBondContact O-N 2.77Å; Q10-R15 WeakPolarHBondContact O-CB 3.37Å; Q10-R15 PolarHBondContact O-N 2.85Å; Q10-H19 PolarHBondContact NE2-O 3.1Å
11R93.9Very high90.2Very high138 Ų13873.6 Ų73.652%0.52136%0.364SS..Iπ-helixtrans-71.5-44-178.4-176.6-175.365.983.21.4112.5E7 E8 M9 P16E7-R11 WeakPolarHBondContact O-CB 3.41Å; E7-R11 PolarHBondContact O-N 2.93Å; E8-R11 PolarHBondContact O-N 3.08Å; M9-R11 VanDerWaalsContact C-N 3.32Å; M9-R11 PolarHBondContact O-N 3.23Å; R11-P16 WeakPolarHBondContact O-CD 3.49Å
12V91.9Very high92Very high60 Ų6068.8 Ų68.836%0.36434%0.342SS..Iπ-helixtrans-86.2-39-170177.60000112E8E8-V12 HydrophobicContact CG-CG2 4.17Å; E8-V12 WeakPolarHBondContact O-CB 3.34Å; E8-V12 WeakPolarHBondContact O-CG2 3.34Å; E8-V12 PolarHBondContact O-N 3.2Å
13L93Very high93Very high26 Ų2667.5 Ų67.514%0.13633%0.329CS..Iπ-helixtrans-106.2-51.2-174.9-72.6180000113.8M9 V52 Y79 R81M9-L13 WeakPolarHBondContact O-CB 3.35Å; M9-L13 PolarHBondContact O-N 3.46Å; L13-V52 HydrophobicContact CD1-CB 4.35Å; L13-V52 HydrophobicContact CD1-CG1 3.5Å; L13-V52 HydrophobicContact CD1-CG2 3.83Å; L13-Y79 HydrophobicContact CD1-CG 4.4Å; L13-Y79 WeakPolarHBondContact CD2-O 3.2Å; L13-R81 PolarHBondContact O-NH2 2.83Å
14F95.2Very high93.8Very high0 Ų063.1 Ų63.10%030%0.298CS..Iπ-helixtrans-84.4-41.7-167.1-62.6-84.8000113.2M9 Q10 A17 K18 H19 L21 C38 S40 V52 R81M9-F14 HydrophobicContact CB-CD2 4.46Å; M9-F14 HydrophobicContact CB-CE2 4.29Å; M9-F14 HydrophobicContact CE-CE2 4.23Å; M9-F14 WeakPolarHBondContact O-CD2 3.48Å; M9-F14 PolarHBondContact O-N 2.87Å; Q10-F14 PolarHBondContact O-N 2.77Å; F14-A17 CarbonylContact O-C 3.56Å; F14-A17 PolarHBondContact O-N 3.44Å; F14-K18 PolarHBondContact O-N 3.23Å; F14-H19 CarbonylContact C-O 3.5Å; F14-H19 HydrophobicContact CB-CB 4.19Å; F14-H19 WeakPolarHBondContact CB-O 3.43Å; F14-H19 HydrophobicContact CD1-CB 4.2Å; F14-H19 WeakPolarHBondContact O-CA 3.25Å; F14-H19 PolarHBondContact O-N 3.38Å; F14-H19 VanDerWaalsContact O-O 3.05Å; F14-L21 HydrophobicContact CB-CB 4.46Å; F14-L21 HydrophobicContact CD2-CB 3.88Å; F14-L21 HydrophobicContact CD2-CD1 4.21Å; F14-L21 HydrophobicContact CD2-CD2 4.11Å; F14-L21 HydrophobicContact CD2-CG 4.3Å; F14-L21 HydrophobicContact CE1-CD1 4.24Å; F14-L21 HydrophobicContact CE2-CB 4.32Å; F14-L21 HydrophobicContact CE2-CD1 3.77Å; F14-L21 HydrophobicContact CE2-CD2 4Å; F14-L21 HydrophobicContact CE2-CG 4.26Å; F14-L21 HydrophobicContact CG-CB 4.04Å; F14-L21 HydrophobicContact CZ-CD1 3.81Å; F14-C38 HydrophobicContact CE1-CB 4.35Å; F14-C38 HydrophobicContact CE2-CB 4.49Å; F14-C38 HydrophobicContact CZ-CB 3.64Å; F14-S40 VanDerWaalsContact CD1-CB 3.44Å; F14-V52 HydrophobicContact CZ-CG2 4.28Å; F14-R81 VanDerWaalsContact CA-NH2 3.32Å
15R94.9Very high94.2Very high145 Ų14557.3 Ų57.355%0.54727%0.267SS..THydrogen-bonded Turntrans-63.2-43.4-178.9-170.3-178.7-66.4161.40.2112.8Q10 A17 K18Q10-R15 WeakPolarHBondContact O-CB 3.37Å; Q10-R15 PolarHBondContact O-N 2.85Å; R15-A17 VanDerWaalsContact C-N 3.28Å; R15-A17 PolarHBondContact O-N 3.12Å; R15-K18 WeakPolarHBondContact O-CA 3.4Å; R15-K18 PolarHBondContact O-N 2.93Å
16P93.6Very high94.5Very high91 Ų9159 Ų5959%0.59128%0.275SS*.THydrogen-bonded Turntrans-62-36.5175.7-24.636.9000112.6R11 K18R11-P16 WeakPolarHBondContact O-CD 3.49Å; P16-K18 PolarHBondContact O-N 3.2Å
17A93Very high94.8Very high44 Ų4455.4 Ų55.436%0.36426%0.262SS..THydrogen-bonded Turntrans-74.91.5173.700000113.6F14 R15 H19F14-A17 CarbonylContact O-C 3.56Å; F14-A17 PolarHBondContact O-N 3.44Å; R15-A17 VanDerWaalsContact C-N 3.28Å; R15-A17 PolarHBondContact O-N 3.12Å; A17-H19 PolarHBondContact O-CD2 3.3Å; A17-H19 PolarHBondContact O-N 3.23Å
18K95.4Very high95.1Very high119 Ų11955.1 Ų55.152%0.51726%0.261SS..THydrogen-bonded Turntrans60.232.2-175.1-60.4155.4167.4-179.10113.3F14 R15 P16 R43F14-K18 PolarHBondContact O-N 3.23Å; R15-K18 WeakPolarHBondContact O-CA 3.4Å; R15-K18 PolarHBondContact O-N 2.93Å; P16-K18 PolarHBondContact O-N 3.2Å; K18-R43 HydrophobicContact CB-CG 3.98Å; K18-R43 VanDerWaalsContact CE-CZ 3.5Å
19H96.1Very high95.2Very high28 Ų2853.8 Ų53.813%0.1325%0.254CS..  trans-110.6149.5177.6-77.6-138.4000110.7Q10 F14 A17 S40 V41 G42 Q48Q10-H19 PolarHBondContact NE2-O 3.1Å; F14-H19 CarbonylContact C-O 3.5Å; F14-H19 HydrophobicContact CB-CB 4.19Å; F14-H19 WeakPolarHBondContact CB-O 3.43Å; F14-H19 HydrophobicContact CD1-CB 4.2Å; F14-H19 WeakPolarHBondContact O-CA 3.25Å; F14-H19 PolarHBondContact O-N 3.38Å; F14-H19 VanDerWaalsContact O-O 3.05Å; A17-H19 PolarHBondContact O-CD2 3.3Å; A17-H19 PolarHBondContact O-N 3.23Å; H19-S40 PolarHBondContact ND1-OG 2.92Å; H19-S40 VanDerWaalsContact ND1-OG 3.12Å; H19-V41 CarbonylContact C-O 3.57Å; H19-V41 WeakPolarHBondContact CA-O 3.46Å; H19-G42 WeakPolarHBondContact CD2-CA 3.06Å; H19-G42 VanDerWaalsContact NE2-CA 3.34Å; H19-G42 WeakPolarHBondContact NE2-CA 3.28Å; H19-Q48 PolarHBondContact CE1-OE1 2.85Å; H19-Q48 PolarHBondContact ND1-OE1 3.16Å
20R96.2Very high95.2Very high142 Ų14259.8 Ų59.854%0.53629%0.293SS..EExtended strand (participates in β ladder)trans-107.3119.7170-172.9179.568.3145.13.7109.3V22 S40 V41R20-V22 PolarHBondContact O-N 3.19Å; R20-S40 CarbonylContact O-C 3.48Å; R20-S40 WeakPolarHBondContact O-CA 3.13Å; R20-S40 WeakPolarHBondContact O-CB 3.21Å; R20-V41 PolarHBondContact N-O 3.25Å; R20-V41 PolarHBondContact O-N 2.84Å
21L96.6Very high94.9Very high9 Ų961.8 Ų61.85%0.04731%0.307CS..EExtended strand (participates in β ladder)trans-65.7123.7172-178.360.1000109.2R6 M9 F14 F24 C38R6-L21 HydrophobicContact CG-CD2 4.21Å; M9-L21 HydrophobicContact CB-CD2 4.13Å; F14-L21 HydrophobicContact CB-CB 4.46Å; F14-L21 HydrophobicContact CD2-CB 3.88Å; F14-L21 HydrophobicContact CD2-CD1 4.21Å; F14-L21 HydrophobicContact CD2-CD2 4.11Å; F14-L21 HydrophobicContact CD2-CG 4.3Å; F14-L21 HydrophobicContact CE1-CD1 4.24Å; F14-L21 HydrophobicContact CE2-CB 4.32Å; F14-L21 HydrophobicContact CE2-CD1 3.77Å; F14-L21 HydrophobicContact CE2-CD2 4Å; F14-L21 HydrophobicContact CE2-CG 4.26Å; F14-L21 HydrophobicContact CG-CB 4.04Å; F14-L21 HydrophobicContact CZ-CD1 3.81Å; L21-F24 HydrophobicContact CD1-CB 4.4Å; L21-F24 HydrophobicContact CD2-CD1 4.06Å; L21-C38 HydrophobicContact CD1-CB 3.87Å
22V95.8Very high94.7Very high37 Ų3760.6 Ų60.622%0.22432%0.318CS..EExtended strand (participates in β ladder)trans-98.9-52-179.7176.70000110.4R6 R20 V39 V41 L133R6-V22 PolarHBondContact NH1-O 2.84Å; R6-V22 PolarHBondContact NH2-O 2.84Å; R6-V22 VanDerWaalsContact NH2-O 3.13Å; R20-V22 PolarHBondContact O-N 3.19Å; V22-V39 PolarHBondContact N-O 2.9Å; V22-V41 HydrophobicContact CG2-CB 4.41Å; V22-V41 HydrophobicContact CG2-CG2 3.58Å; V22-L133 HydrophobicContact CB-CD1 4.38Å; V22-L133 HydrophobicContact CG1-CD1 4.18Å; V22-L133 HydrophobicContact CG1-CD2 4.26Å; V22-L133 HydrophobicContact CG2-CD2 4.35Å
23E96.3Very high94.6Very high37 Ų3760.2 Ų60.217%0.17333%0.325CS..EExtended strand (participates in β ladder)trans-145.6154.3177.8-167.153.2-86.500110.8R6 V39 T125 M126 A129R6-E23 VanDerWaalsContact NH2-CD 3.33Å; R6-E23 IonicContact NH2-OE1 2.65Å; R6-E23 PolarHBondContact NH2-OE1 2.81Å; R6-E23 IonicContact NH2-OE2 3.04Å; R6-E23 PolarHBondContact NH2-OE2 2.83Å; E23-V39 PolarHBondContact N-O 2.85Å; E23-V39 PolarHBondContact O-N 2.82Å; E23-T125 HydrophobicContact CG-CG2 4.34Å; E23-M126 HydrophobicContact CG-CE 4.47Å; E23-A129 HydrophobicContact CB-CB 3.71Å; E23-A129 HydrophobicContact CG-CB 4Å
24F97Very high94.6Very high1 Ų163.6 Ų63.60%0.00434%0.337CS..EExtended strand (participates in β ladder)trans-147.3150.4169.870.6-76000111M1 L5 R6 M9 L21 F36 L37 C38M1-F24 HydrophobicContact CB-CZ 4.26Å; M1-F24 HydrophobicContact CE-CD2 3.89Å; M1-F24 HydrophobicContact CE-CE2 3.77Å; M1-F24 HydrophobicContact CE-CZ 4.43Å; M1-F24 WeakPolarHBondContact CE-O 3.49Å; M1-F24 HydrophobicContact SD-CE2 4.13Å; M1-F24 HydrophobicContact SD-CZ 4.43Å; L5-F24 HydrophobicContact CD2-CE2 3.82Å; L5-F24 HydrophobicContact CD2-CZ 4.23Å; L5-F24 HydrophobicContact CG-CE2 4.23Å; L5-F24 HydrophobicContact CG-CZ 4.29Å; R6-F24 HydrophobicContact CB-CE1 3.73Å; R6-F24 HydrophobicContact CB-CZ 4.3Å; R6-F24 HydrophobicContact CG-CE1 4.01Å; M9-F24 HydrophobicContact SD-CD2 4.35Å; M9-F24 HydrophobicContact SD-CE2 4.47Å; L21-F24 HydrophobicContact CD1-CB 4.4Å; L21-F24 HydrophobicContact CD2-CD1 4.06Å; F24-F36 AromaticContact CD2-CD1 3.87Å; F24-F36 HydrophobicContact CD2-CD1 3.87Å; F24-F36 HydrophobicContact CD2-CE1 4.48Å; F24-F36 HydrophobicContact CD2-CG 4.45Å; F24-F36 HydrophobicContact CE2-CD1 4.23Å; F24-F36 HydrophobicContact CE2-CE1 4.4Å; F24-L37 CarbonylContact C-O 3.47Å; F24-L37 WeakPolarHBondContact CA-O 3.38Å; F24-C38 HydrophobicContact CB-CB 4.29Å
25I97Very high94.6Very high3 Ų363.8 Ų63.82%0.01534%0.338CS..EExtended strand (participates in β ladder)trans-129150.7171.160.4163.3000110.6M1 I27 F36 L37 F105 A117 A122 M126M1-I25 VanDerWaalsContact CE-CA 3.44Å; M1-I25 HydrophobicContact CE-CB 4.41Å; I25-I27 HydrophobicContact CD1-CG2 4.04Å; I25-I27 HydrophobicContact CG1-CG2 4.04Å; I25-F36 CarbonylContact O-C 3.52Å; I25-F36 WeakPolarHBondContact O-CA 3.39Å; I25-L37 HydrophobicContact CD1-CD2 4.46Å; I25-L37 HydrophobicContact CG1-CB 3.98Å; I25-L37 PolarHBondContact N-O 2.89Å; I25-L37 PolarHBondContact O-N 3.28Å; I25-F105 HydrophobicContact CD1-CE1 4.26Å; I25-F105 HydrophobicContact CD1-CZ 4.16Å; I25-A117 HydrophobicContact CD1-CB 3.93Å; I25-A122 HydrophobicContact CB-CB 4.06Å; I25-A122 HydrophobicContact CD1-CB 4.49Å; I25-A122 HydrophobicContact CG2-CB 3.87Å; I25-A122 WeakPolarHBondContact CG2-O 3.47Å; I25-M126 HydrophobicContact CB-CE 4.34Å; I25-M126 HydrophobicContact CD1-CB 3.74Å; I25-M126 HydrophobicContact CD1-CG 4.15Å; I25-M126 HydrophobicContact CG1-CB 4.11Å; I25-M126 HydrophobicContact CG1-CE 3.72Å; I25-M126 HydrophobicContact CG1-CG 4.36Å; I25-M126 HydrophobicContact CG2-CB 4.08Å; I25-M126 HydrophobicContact CG2-CE 4.15Å
26E96.7Very high94.7Very high52 Ų5257 Ų5724%0.24331%0.312CS..EExtended strand (participates in β ladder)trans-79.6137.9169.7-165.3163.5-174.400109.2R34 H35 F36 V118E26-R34 IonicContact OE1-CZ 3.56Å; E26-R34 IonicContact OE1-NE 2.8Å; E26-R34 PolarHBondContact OE1-NE 2.84Å; E26-R34 IonicContact OE1-NH2 3.45Å; E26-R34 PolarHBondContact OE1-NH2 2.87Å; E26-R34 IonicContact OE2-CZ 3.63Å; E26-R34 IonicContact OE2-NE 3.65Å; E26-R34 IonicContact OE2-NH2 2.75Å; E26-R34 PolarHBondContact OE2-NH2 2.84Å; E26-H35 WeakPolarHBondContact CA-O 3.35Å; E26-F36 HydrophobicContact CB-CD1 3.98Å; E26-F36 HydrophobicContact CB-CE1 3.92Å; E26-F36 HydrophobicContact CG-CD1 4.21Å; E26-F36 HydrophobicContact CG-CE1 3.9Å; E26-V118 HydrophobicContact CB-CG2 3.87Å; E26-V118 HydrophobicContact CG-CG2 3.74Å; E26-V118 PolarHBondContact O-N 3.38Å; E26-V118 VanDerWaalsContact O-N 3.13Å
27I97.8Very high94.9Very high6 Ų652.6 Ų52.63%0.03128%0.284CS..EExtended strand (participates in β ladder)trans-130.9155.4-177.264.8172000110.2I25 E29 H35 L37 I51 V115 M116I25-I27 HydrophobicContact CD1-CG2 4.04Å; I25-I27 HydrophobicContact CG1-CG2 4.04Å; I27-E29 HydrophobicContact CD1-CG 4.13Å; I27-E29 VanDerWaalsContact CD1-OE1 3.26Å; I27-E29 WeakPolarHBondContact CD1-OE1 3.33Å; I27-E29 HydrophobicContact CG1-CG 4.27Å; I27-H35 HydrophobicContact CD1-CB 4.32Å; I27-H35 HydrophobicContact CG1-CB 3.72Å; I27-H35 PolarHBondContact N-O 3.25Å; I27-L37 HydrophobicContact CD1-CB 4.3Å; I27-L37 HydrophobicContact CG2-CB 3.84Å; I27-I51 HydrophobicContact CD1-CD1 3.65Å; I27-I51 HydrophobicContact CD1-CG2 4.15Å; I27-V115 HydrophobicContact CB-CG1 4.31Å; I27-V115 HydrophobicContact CG2-CG1 3.65Å; I27-M116 CarbonylContact C-O 3.18Å; I27-M116 WeakPolarHBondContact CA-O 3.35Å; I27-M116 VanDerWaalsContact CB-O 3.29Å; I27-M116 WeakPolarHBondContact CB-O 3.47Å
28E96.8Very high95.2Very high121 Ų12150.5 Ų50.557%0.56527%0.266SS*.EExtended strand (participates in β ladder)trans-87.9131.4172.6-58.3-175.5167.500109.9M116 V118E28-M116 HydrophobicContact CB-CB 3.99Å; E28-M116 PolarHBondContact N-O 2.92Å; E28-V118 HydrophobicContact CG-CG2 4.49Å
29E95.3Very high95.3Very high41 Ų4144.9 Ų44.919%0.19224%0.242CC..  trans-133.2151.4174.3-68.6-71175.600108.4I27 T31 H35 R113I27-E29 HydrophobicContact CD1-CG 4.13Å; I27-E29 VanDerWaalsContact CD1-OE1 3.26Å; I27-E29 WeakPolarHBondContact CD1-OE1 3.33Å; I27-E29 HydrophobicContact CG1-CG 4.27Å; E29-T31 PolarHBondContact O-N 2.97Å; E29-H35 HydrophobicContact CB-CB 4.15Å; E29-H35 HydrophobicContact CG-CB 3.53Å; E29-H35 VanDerWaalsContact CG-CG 3.42Å; E29-R113 IonicContact OE1-CZ 3.96Å; E29-R113 IonicContact OE1-NH2 2.76Å; E29-R113 PolarHBondContact OE1-NH2 3.13Å; E29-R113 IonicContact OE2-CZ 3.85Å; E29-R113 IonicContact OE2-NH2 3.96Å; E29-R113 PolarHBondContact OE2-NH2 2.97Å
30P91.6Very high95.3Very high126 Ų12643.6 Ų43.682%0.81824%0.236SC*.SBendtrans-66.1-23178.627.4-34.9000112.4
31T89.9Confident95.4Very high71 Ų7137.4 Ų37.444%0.43621%0.214SC..SBendtrans-72.7140.2177.337.90000111.1E29 H35E29-T31 PolarHBondContact O-N 2.97Å; T31-H35 PolarHBondContact O-CE1 2.77Å; T31-H35 PolarHBondContact OG1-CE1 2.94Å; T31-H35 VanDerWaalsContact OG1-CE1 3.25Å; T31-H35 PolarHBondContact OG1-NE2 2.82Å
32P88.1Confident95.3Very high114 Ų11437.5 Ų37.574%0.7422%0.217SC*.SBendtrans-67.5144.5179.427.5-34.3000111.4H53P32-H53 PolarHBondContact O-NE2 3.28Å
33G89.7Confident94.8Very high51 Ų5143.7 Ų43.753%0.52624%0.236SC..SBendtrans109.9178.3-178.800000112.6H35G33-H35 PolarHBondContact O-CE1 2.76Å; G33-H35 PolarHBondContact O-ND1 2.9Å
34R93.4Very high94.4Very high98 Ų9851.6 Ų51.637%0.3727%0.27SS..EExtended strand (participates in β ladder)trans-89.5135.7-177.8-62.9177.969.9-162.93.2109.7E26 F36 C54E26-R34 IonicContact OE1-CZ 3.56Å; E26-R34 IonicContact OE1-NE 2.8Å; E26-R34 PolarHBondContact OE1-NE 2.84Å; E26-R34 IonicContact OE1-NH2 3.45Å; E26-R34 PolarHBondContact OE1-NH2 2.87Å; E26-R34 IonicContact OE2-CZ 3.63Å; E26-R34 IonicContact OE2-NE 3.65Å; E26-R34 IonicContact OE2-NH2 2.75Å; E26-R34 PolarHBondContact OE2-NH2 2.84Å; R34-F36 HydrophobicContact CB-CE2 3.93Å; R34-F36 HydrophobicContact CB-CZ 4Å; R34-C54 HydrophobicContact CB-CB 4.25Å; R34-C54 PolarHBondContact N-O 2.92Å; R34-C54 PolarHBondContact O-N 2.95Å
35H96.1Very high94Very high4 Ų458.8 Ų58.82%0.01930%0.301CS..EExtended strand (participates in β ladder)trans-122.1141.6-179-62.776.7000109.6E26 I27 E29 T31 G33 V52 H53E26-H35 WeakPolarHBondContact CA-O 3.35Å; I27-H35 HydrophobicContact CD1-CB 4.32Å; I27-H35 HydrophobicContact CG1-CB 3.72Å; I27-H35 PolarHBondContact N-O 3.25Å; E29-H35 HydrophobicContact CB-CB 4.15Å; E29-H35 HydrophobicContact CG-CB 3.53Å; E29-H35 VanDerWaalsContact CG-CG 3.42Å; T31-H35 PolarHBondContact O-CE1 2.77Å; T31-H35 PolarHBondContact OG1-CE1 2.94Å; T31-H35 VanDerWaalsContact OG1-CE1 3.25Å; T31-H35 PolarHBondContact OG1-NE2 2.82Å; G33-H35 PolarHBondContact O-CE1 2.76Å; G33-H35 PolarHBondContact O-ND1 2.9Å; H35-V52 CarbonylContact C-O 3.57Å; H35-V52 WeakPolarHBondContact CA-O 3.38Å; H35-H53 AromaticContact CD2-CD2 3.7Å; H35-H53 AromaticContact CE1-CD2 3.36Å; H35-H53 PolarHBondContact CE1-CD2 3.47Å; H35-H53 AromaticContact CE1-NE2 3.51Å; H35-H53 AromaticContact NE2-CD2 3.06Å; H35-H53 PolarHBondContact NE2-CD2 3.06Å; H35-H53 AromaticContact NE2-CG 3.55Å; H35-H53 AromaticContact NE2-NE2 3.43Å; H35-H53 PolarHBondContact NE2-NE2 3.49Å
36F97.1Very high93.7Very high1 Ų162 Ų620%0.00432%0.32CS..EExtended strand (participates in β ladder)trans-131.4126.3-178.1-55.4-83.6000110.8L5 M9 F24 I25 E26 R34 I51 V52 C54L5-F36 HydrophobicContact CD2-CE1 3.92Å; L5-F36 HydrophobicContact CD2-CZ 3.84Å; M9-F36 HydrophobicContact CE-CB 4.24Å; M9-F36 HydrophobicContact CE-CD2 4.39Å; M9-F36 HydrophobicContact CE-CG 4.41Å; M9-F36 HydrophobicContact SD-CD2 4.5Å; F24-F36 AromaticContact CD2-CD1 3.87Å; F24-F36 HydrophobicContact CD2-CD1 3.87Å; F24-F36 HydrophobicContact CD2-CE1 4.48Å; F24-F36 HydrophobicContact CD2-CG 4.45Å; F24-F36 HydrophobicContact CE2-CD1 4.23Å; F24-F36 HydrophobicContact CE2-CE1 4.4Å; I25-F36 CarbonylContact O-C 3.52Å; I25-F36 WeakPolarHBondContact O-CA 3.39Å; E26-F36 HydrophobicContact CB-CD1 3.98Å; E26-F36 HydrophobicContact CB-CE1 3.92Å; E26-F36 HydrophobicContact CG-CD1 4.21Å; E26-F36 HydrophobicContact CG-CE1 3.9Å; R34-F36 HydrophobicContact CB-CE2 3.93Å; R34-F36 HydrophobicContact CB-CZ 4Å; F36-I51 CarbonylContact O-C 3.57Å; F36-I51 WeakPolarHBondContact O-CA 3.41Å; F36-V52 HydrophobicContact CB-CB 4.34Å; F36-V52 PolarHBondContact N-O 2.98Å; F36-V52 PolarHBondContact O-N 2.61Å; F36-C54 HydrophobicContact CE2-CB 4.01Å
37L98.1Very high93.7Very high0 Ų059.7 Ų59.70%031%0.31CS..EExtended strand (participates in β ladder)trans-80.911916317662.9000108F24 I25 I27 I51 F105 L107 V115 M126F24-L37 CarbonylContact C-O 3.47Å; F24-L37 WeakPolarHBondContact CA-O 3.38Å; I25-L37 HydrophobicContact CD1-CD2 4.46Å; I25-L37 HydrophobicContact CG1-CB 3.98Å; I25-L37 PolarHBondContact N-O 2.89Å; I25-L37 PolarHBondContact O-N 3.28Å; I27-L37 HydrophobicContact CD1-CB 4.3Å; I27-L37 HydrophobicContact CG2-CB 3.84Å; L37-I51 HydrophobicContact CB-CD1 4.19Å; L37-I51 HydrophobicContact CD1-CD1 3.65Å; L37-I51 HydrophobicContact CG-CD1 4.5Å; L37-F105 HydrophobicContact CD2-CE2 4.2Å; L37-F105 HydrophobicContact CD2-CZ 3.86Å; L37-L107 HydrophobicContact CD2-CD1 4.33Å; L37-V115 HydrophobicContact CD2-CG1 4.15Å; L37-V115 HydrophobicContact CD2-CG2 4.49Å; L37-M126 HydrophobicContact CB-CE 4.44Å; L37-M126 HydrophobicContact CD2-CE 4.32Å; L37-M126 HydrophobicContact CD2-CG 3.84Å; L37-M126 HydrophobicContact CD2-SD 4.34Å; L37-M126 HydrophobicContact CG-CE 4.03Å; L37-M126 HydrophobicContact CG-SD 4.47Å; L37-M126 WeakPolarHBondContact O-CE 3.49Å
38C97.8Very high93.7Very high0 Ų061.7 Ų61.70%032%0.319CS..EExtended strand (participates in β ladder)trans-117.4146.3-177.1-57.10000110.7M9 F14 L21 F24 L49 S50 V52M9-C38 WeakPolarHBondContact CE-SG 3.42Å; F14-C38 HydrophobicContact CE1-CB 4.35Å; F14-C38 HydrophobicContact CE2-CB 4.49Å; F14-C38 HydrophobicContact CZ-CB 3.64Å; L21-C38 HydrophobicContact CD1-CB 3.87Å; F24-C38 HydrophobicContact CB-CB 4.29Å; C38-L49 CarbonylContact O-C 3.53Å; C38-L49 WeakPolarHBondContact O-CA 3.38Å; C38-S50 PolarHBondContact N-O 3.37Å; C38-S50 PolarHBondContact O-N 3.39Å; C38-V52 HydrophobicContact CB-CG2 4.43Å; C38-V52 VanDerWaalsContact SG-CG2 3.59Å
39V97.5Very high93.7Very high0 Ų056 Ų560%029%0.293CS..EExtended strand (participates in β ladder)trans-122.7128.3170-166.50000109.4V22 E23 V47 Q48 L49 M126 L130 L133V22-V39 PolarHBondContact N-O 2.9Å; E23-V39 PolarHBondContact N-O 2.85Å; E23-V39 PolarHBondContact O-N 2.82Å; V39-V47 HydrophobicContact CG1-CG1 3.72Å; V39-Q48 WeakPolarHBondContact CA-O 3.38Å; V39-L49 HydrophobicContact CG2-CG 4.23Å; V39-M126 HydrophobicContact CG2-CE 4.02Å; V39-M126 HydrophobicContact CG2-SD 3.36Å; V39-M126 WeakPolarHBondContact CG2-SD 3.18Å; V39-L130 HydrophobicContact CG1-CD2 4.24Å; V39-L130 HydrophobicContact CG2-CD2 3.71Å; V39-L133 HydrophobicContact CB-CD1 4.14Å; V39-L133 HydrophobicContact CG1-CD1 3.32Å
40S97.2Very high93.8Very high1 Ų154 Ų541%0.00728%0.284CS..EExtended strand (participates in β ladder)trans-134.6153.6-175.571.20000112F14 H19 R20 V47 Q48F14-S40 VanDerWaalsContact CD1-CB 3.44Å; H19-S40 PolarHBondContact ND1-OG 2.92Å; H19-S40 VanDerWaalsContact ND1-OG 3.12Å; R20-S40 CarbonylContact O-C 3.48Å; R20-S40 WeakPolarHBondContact O-CA 3.13Å; R20-S40 WeakPolarHBondContact O-CB 3.21Å; S40-V47 WeakPolarHBondContact O-CA 3.08Å; S40-Q48 PolarHBondContact N-O 2.91Å; S40-Q48 PolarHBondContact O-N 2.93Å
41V97.1Very high94.1Very high13 Ų1348.1 Ų48.18%0.07925%0.245CC..EExtended strand (participates in β ladder)trans-113.7120.6177.7-1780000108.6H19 R20 V22 V47 L133 Y137H19-V41 CarbonylContact C-O 3.57Å; H19-V41 WeakPolarHBondContact CA-O 3.46Å; R20-V41 PolarHBondContact N-O 3.25Å; R20-V41 PolarHBondContact O-N 2.84Å; V22-V41 HydrophobicContact CG2-CB 4.41Å; V22-V41 HydrophobicContact CG2-CG2 3.58Å; V41-V47 HydrophobicContact CG2-CG1 4.4Å; V41-V47 HydrophobicContact CG2-CG2 4.19Å; V41-L133 HydrophobicContact CG2-CD2 3.94Å; V41-Y137 HydrophobicContact CG1-CE1 4.36Å; V41-Y137 HydrophobicContact CG1-CE2 4.32Å; V41-Y137 HydrophobicContact CG2-CD2 4.44Å; V41-Y137 HydrophobicContact CG2-CE2 3.82Å
42G94.2Very high94.4Very high10 Ų1044.7 Ų44.710%0.10322%0.224CC..  trans-86.6-174.2177.800000114.1H19 K45 V46H19-G42 WeakPolarHBondContact CD2-CA 3.06Å; H19-G42 VanDerWaalsContact NE2-CA 3.34Å; H19-G42 WeakPolarHBondContact NE2-CA 3.28Å; G42-K45 PolarHBondContact O-N 3.14Å; G42-V46 PolarHBondContact N-O 2.96Å
43R86.2Confident94.7Very high167 Ų16740.2 Ų40.263%0.6319%0.193SC*.G310 helixtrans-62.4152.1168.7-66.9-171.3173.6-170.8-0.9109.9K18 K45K18-R43 HydrophobicContact CB-CG 3.98Å; K18-R43 VanDerWaalsContact CE-CZ 3.5Å; R43-K45 PolarHBondContact O-N 3.15Å
44K87.9Confident94.7Very high204 Ų20438 Ų3889%0.88717%0.17SC*.G310 helixtrans60.622.2-173.5-51.3-179.1178.4-177.50114.2V46K44-V46 HydrophobicContact CB-CG2 4.48Å; K44-V46 PolarHBondContact O-N 3.29Å
45K88.1Confident94.2Very high152 Ų15238.3 Ų38.366%0.66118%0.176SC*.G310 helixtrans63.721.6176.1-55.6179-179.7175.40114.5G42 R43 Y137G42-K45 PolarHBondContact O-N 3.14Å; R43-K45 PolarHBondContact O-N 3.15Å; K45-Y137 HydrophobicContact CB-CD1 3.62Å; K45-Y137 HydrophobicContact CB-CE1 3.81Å; K45-Y137 HydrophobicContact CD-CD1 4.17Å; K45-Y137 HydrophobicContact CD-CE1 4.09Å; K45-Y137 HydrophobicContact CG-CD1 4.17Å; K45-Y137 HydrophobicContact CG-CE1 3.95Å
46V91.9Very high93Very high69 Ų6941.2 Ų41.242%0.41820%0.196SC..  trans-73.4126.5174.8179.80000109.4G42 K44G42-V46 PolarHBondContact N-O 2.96Å; K44-V46 HydrophobicContact CB-CG2 4.48Å; K44-V46 PolarHBondContact O-N 3.29Å
47V96.5Very high91.2Very high5 Ų543.9 Ų43.93%0.0322%0.215CC..EExtended strand (participates in β ladder)trans-100.1133.4179.9-168.60000110.2V39 S40 V41 L87 L133 Y137V39-V47 HydrophobicContact CG1-CG1 3.72Å; S40-V47 WeakPolarHBondContact O-CA 3.08Å; V41-V47 HydrophobicContact CG2-CG1 4.4Å; V41-V47 HydrophobicContact CG2-CG2 4.19Å; V47-L87 HydrophobicContact CB-CB 3.74Å; V47-L87 HydrophobicContact CB-CD2 3.76Å; V47-L87 HydrophobicContact CB-CG 4.42Å; V47-L87 HydrophobicContact CG1-CB 3.97Å; V47-L87 HydrophobicContact CG1-CD2 3.65Å; V47-L87 HydrophobicContact CG1-CG 4.43Å; V47-L87 HydrophobicContact CG2-CD2 4.14Å; V47-L87 PolarHBondContact O-N 3.36Å; V47-L133 HydrophobicContact CG1-CB 4.32Å; V47-L133 HydrophobicContact CG1-CD1 4Å; V47-Y137 HydrophobicContact CG2-CD2 3.51Å; V47-Y137 HydrophobicContact CG2-CE2 4.34Å; V47-Y137 HydrophobicContact CG2-CG 3.71Å
48Q96.9Very high89Confident48 Ų4852.8 Ų52.822%0.22425%0.254CS..EExtended strand (participates in β ladder)trans-126.4137.8179.9-72.1-175.2-18.900111.5H19 V39 S40 I84 W85H19-Q48 PolarHBondContact CE1-OE1 2.85Å; H19-Q48 PolarHBondContact ND1-OE1 3.16Å; V39-Q48 WeakPolarHBondContact CA-O 3.38Å; S40-Q48 PolarHBondContact N-O 2.91Å; S40-Q48 PolarHBondContact O-N 2.93Å; Q48-I84 HydrophobicContact CB-CG2 4.45Å; Q48-I84 HydrophobicContact CG-CG2 4.46Å; Q48-W85 CarbonylContact C-O 3.54Å; Q48-W85 VanDerWaalsContact CA-O 3.25Å; Q48-W85 WeakPolarHBondContact CA-O 3.42Å
49L97.9Very high86.5Confident0 Ų056.2 Ų56.20%028%0.278CS..EExtended strand (participates in β ladder)trans-94.2144.4163.4-62.787.2000108.5C38 V39 I84 W85 L87 L107 F109 L130C38-L49 CarbonylContact O-C 3.53Å; C38-L49 WeakPolarHBondContact O-CA 3.38Å; V39-L49 HydrophobicContact CG2-CG 4.23Å; L49-I84 CarbonylContact O-C 3.48Å; L49-I84 WeakPolarHBondContact O-CA 3.43Å; L49-W85 HydrophobicContact CB-CE3 4.29Å; L49-W85 PolarHBondContact N-O 3.06Å; L49-W85 PolarHBondContact O-N 2.83Å; L49-L87 HydrophobicContact CD1-CB 3.97Å; L49-L87 HydrophobicContact CD1-CD1 3.79Å; L49-L107 HydrophobicContact CD2-CD1 4.17Å; L49-F109 HydrophobicContact CD1-CE1 4.45Å; L49-F109 HydrophobicContact CD1-CZ 4.25Å; L49-F109 HydrophobicContact CD2-CZ 4.21Å; L49-L130 HydrophobicContact CD1-CD2 4.32Å; L49-L130 HydrophobicContact CD2-CD1 4.3Å; L49-L130 HydrophobicContact CD2-CD2 3.67Å; L49-L130 HydrophobicContact CG-CD2 4.04Å
50S97.4Very high83.6Confident1 Ų162.6 Ų62.61%0.00732%0.317CS..EExtended strand (participates in β ladder)trans-150.7142174.963.10000112.5C38 E83C38-S50 PolarHBondContact N-O 3.37Å; C38-S50 PolarHBondContact O-N 3.39Å; S50-E83 CarbonylContact C-O 3.56Å; S50-E83 WeakPolarHBondContact CA-O 3.37Å; S50-E83 VanDerWaalsContact CB-O 3.28Å; S50-E83 WeakPolarHBondContact CB-O 3.44Å
51I97.5Very high81.1Confident1 Ų170.1 Ų70.11%0.00535%0.352CS..EExtended strand (participates in β ladder)trans-85.6128.6166.7-51.8-59.6000108.5I27 F36 L37 R81 T82 E83 W85I27-I51 HydrophobicContact CD1-CD1 3.65Å; I27-I51 HydrophobicContact CD1-CG2 4.15Å; F36-I51 CarbonylContact O-C 3.57Å; F36-I51 WeakPolarHBondContact O-CA 3.41Å; L37-I51 HydrophobicContact CB-CD1 4.19Å; L37-I51 HydrophobicContact CD1-CD1 3.65Å; L37-I51 HydrophobicContact CG-CD1 4.5Å; I51-R81 CarbonylContact O-C 3.56Å; I51-R81 VanDerWaalsContact O-CA 3.3Å; I51-R81 WeakPolarHBondContact O-CA 3.3Å; I51-T82 WeakPolarHBondContact CB-OG1 3.37Å; I51-T82 WeakPolarHBondContact CG2-OG1 3.44Å; I51-T82 PolarHBondContact O-N 3.06Å; I51-T82 PolarHBondContact O-OG1 3.26Å; I51-E83 HydrophobicContact CB-CB 4.2Å; I51-E83 HydrophobicContact CG1-CB 3.97Å; I51-E83 PolarHBondContact N-O 3.43Å; I51-W85 HydrophobicContact CD1-CH2 4.44Å; I51-W85 HydrophobicContact CD1-CZ3 4.11Å; I51-W85 HydrophobicContact CG1-CH2 3.85Å; I51-W85 HydrophobicContact CG1-CZ3 3.74Å
52V96.1Very high78.4Confident0 Ų079.4 Ų79.40%039%0.391CS..EExtended strand (participates in β ladder)trans-113121.6176.1176.60000109M9 L13 F14 H35 F36 C38 Y79 K80 R81M9-V52 HydrophobicContact CE-CB 4.06Å; M9-V52 HydrophobicContact CE-CG1 3.97Å; M9-V52 HydrophobicContact CE-CG2 4.04Å; L13-V52 HydrophobicContact CD1-CB 4.35Å; L13-V52 HydrophobicContact CD1-CG1 3.5Å; L13-V52 HydrophobicContact CD1-CG2 3.83Å; F14-V52 HydrophobicContact CZ-CG2 4.28Å; H35-V52 CarbonylContact C-O 3.57Å; H35-V52 WeakPolarHBondContact CA-O 3.38Å; F36-V52 HydrophobicContact CB-CB 4.34Å; F36-V52 PolarHBondContact N-O 2.98Å; F36-V52 PolarHBondContact O-N 2.61Å; C38-V52 HydrophobicContact CB-CG2 4.43Å; C38-V52 VanDerWaalsContact SG-CG2 3.59Å; V52-Y79 HydrophobicContact CG1-CD1 4.05Å; V52-K80 CarbonylContact C-O 3.54Å; V52-K80 WeakPolarHBondContact CA-O 3.14Å; V52-R81 HydrophobicContact CG2-CG 4.02Å
53H94.7Very high75.9Confident20 Ų2085 Ų859%0.09343%0.429CS..EExtended strand (participates in β ladder)trans-91.5128.2169.2-176.6-160.3000109.9P32 H35 Q55 Y79 K80 T82P32-H53 PolarHBondContact O-NE2 3.28Å; H35-H53 AromaticContact CD2-CD2 3.7Å; H35-H53 AromaticContact CE1-CD2 3.36Å; H35-H53 PolarHBondContact CE1-CD2 3.47Å; H35-H53 AromaticContact CE1-NE2 3.51Å; H35-H53 AromaticContact NE2-CD2 3.06Å; H35-H53 PolarHBondContact NE2-CD2 3.06Å; H35-H53 AromaticContact NE2-CG 3.55Å; H35-H53 AromaticContact NE2-NE2 3.43Å; H35-H53 PolarHBondContact NE2-NE2 3.49Å; H53-Q55 WeakPolarHBondContact CE1-CG 3.42Å; H53-Q55 PolarHBondContact CE1-NE2 3.26Å; H53-Q55 PolarHBondContact ND1-NE2 3.43Å; H53-Q55 VanDerWaalsContact ND1-NE2 3.15Å; H53-Y79 WeakPolarHBondContact O-CA 3.47Å; H53-K80 PolarHBondContact N-O 2.86Å; H53-K80 PolarHBondContact O-N 3.06Å; H53-T82 HydrophobicContact CB-CG2 3.89Å
54C90.1Very high73.8Confident5 Ų580 Ų803%0.03443%0.43CS..EExtended strand (participates in β ladder)trans-103.1113169.4179.10000109.6R34 F36 S78 Y79R34-C54 HydrophobicContact CB-CB 4.25Å; R34-C54 PolarHBondContact N-O 2.92Å; R34-C54 PolarHBondContact O-N 2.95Å; F36-C54 HydrophobicContact CE2-CB 4.01Å; C54-S78 WeakPolarHBondContact CA-O 3.44Å; C54-Y79 HydrophobicContact CB-CD1 3.97Å; C54-Y79 HydrophobicContact CB-CE1 3.88Å
55Q82.4Confident71.6Confident104 Ų10476.2 Ų76.249%0.48643%0.428SS..EExtended strand (participates in β ladder)trans-101.6113.5173.1-66.2-178.4-3.700109.1H53 S57 S78H53-Q55 WeakPolarHBondContact CE1-CG 3.42Å; H53-Q55 PolarHBondContact CE1-NE2 3.26Å; H53-Q55 PolarHBondContact ND1-NE2 3.43Å; H53-Q55 VanDerWaalsContact ND1-NE2 3.15Å; Q55-S57 PolarHBondContact O-N 3.18Å; Q55-S78 PolarHBondContact N-O 2.82Å; Q55-S78 PolarHBondContact O-N 3.36Å; Q55-S78 PolarHBondContact O-OG 2.92Å
56S71.3Confident69.7Low65 Ų6579.4 Ų79.446%0.45544%0.442SS..EExtended strand (participates in β ladder)trans-77.7103.4170.4-171.90000108.7K58 I75S56-K58 PolarHBondContact O-N 2.98Å; S56-I75 WeakPolarHBondContact OG-CG2 3.31Å
57S59.5Low67.3Low57 Ų5785.5 Ų85.540%0.39946%0.463SS..EExtended strand (participates in β ladder)trans-82.1111170.766.90000108.6Q55 S59 Q76Q55-S57 PolarHBondContact O-N 3.18Å; S57-S59 PolarHBondContact O-N 2.96Å; S57-S59 VanDerWaalsContact O-N 3.16Å; S57-Q76 PolarHBondContact N-O 2.91Å; S57-Q76 PolarHBondContact OG-O 2.79Å
58K50.9Low64.9Low187 Ų18794 Ų9481%0.81351%0.508SS*.  trans-72104.3165.9-69.2-177.3-177.3177.70106.7S56 T60S56-K58 PolarHBondContact O-N 2.98Å; K58-T60 PolarHBondContact O-N 2.97Å; K58-T60 VanDerWaalsContact O-N 3.13Å
59S44.6Very low62.3Low72 Ų72100 Ų10050%0.50354%0.535SS..  trans-68.5113.4170.184.90000108.2S57 Q61S57-S59 PolarHBondContact O-N 2.96Å; S57-S59 VanDerWaalsContact O-N 3.16Å; S59-Q61 PolarHBondContact O-N 3.15Å; S59-Q61 VanDerWaalsContact O-N 3.08Å
60T37.3Very low59.5Low134 Ų134106.4 Ų106.482%0.82258%0.575SS**  trans-70.997.1165.928.30000106.9K58 K62K58-T60 PolarHBondContact O-N 2.97Å; K58-T60 VanDerWaalsContact O-N 3.13Å; T60-K62 PolarHBondContact O-N 2.95Å
61Q45.1Very low56.7Low159 Ų159116 Ų11674%0.74362%0.617SS**  trans-59.8104.9169.4-76.7-165-25.200109S59 S63S59-Q61 PolarHBondContact O-N 3.15Å; S59-Q61 VanDerWaalsContact O-N 3.08Å; Q61-S63 PolarHBondContact O-N 2.85Å
62K40.2Very low54.1Low207 Ų207126.7 Ų126.790%0.966%0.657SS**  trans-66.8108.2156.7-82.6-175176.2-179.90107.1T60 G64T60-K62 PolarHBondContact O-N 2.95Å; K62-G64 PolarHBondContact O-N 3.42Å
63S41.5Very low51.4Low128 Ų128131.7 Ų131.790%0.89569%0.692SS**  trans-56.8115.8174.51650000110.6Q61Q61-S63 PolarHBondContact O-N 2.85Å
64G42.9Very low49.1Very low63 Ų63134.4 Ų134.465%0.64971%0.713SS**  trans178.757.1173.900000113.8K62K62-G64 PolarHBondContact O-N 3.42Å
65S40.4Very low47.3Very low123 Ų123138.8 Ų138.886%0.8674%0.735SS**  trans177.6121.8148.9-84.50000111.4K67S65-K67 PolarHBondContact O-N 2.8Å; S65-K67 VanDerWaalsContact O-N 3.16Å
66K48.8Very low46.2Very low219 Ų219140.7 Ų140.795%0.95274%0.744SS**  trans-65.1105.8173.6-78.5172.5175.41720110.1
67K42.1Very low46.2Very low198 Ų198140.8 Ų140.886%0.86174%0.737SS**  trans-145.8124.8150.9-116.2177-177.4178.60109.6S65 Q69S65-K67 PolarHBondContact O-N 2.8Å; S65-K67 VanDerWaalsContact O-N 3.16Å; K67-Q69 PolarHBondContact O-N 2.79Å
68L45.8Very low47.4Very low184 Ų184140.6 Ų140.696%0.96374%0.736SS**  trans-67.590.9-179.7-160.381.9000108.7
69Q41.2Very low49.3Very low172 Ų172132.6 Ų132.680%0.80470%0.701SS**  trans-132.4134.8163.5-78.2-166.9-5.500108.5K67 K71K67-Q69 PolarHBondContact O-N 2.79Å; Q69-K71 PolarHBondContact O-N 3.45Å; Q69-K71 VanDerWaalsContact O-N 3.17Å
70T40.1Very low51.6Low136 Ų136136.2 Ų136.283%0.83471%0.707SS**  trans-30.5112.1178.634.20000112.9R72T70-R72 PolarHBondContact O-N 2.82Å
71K38.5Very low54.3Low203 Ų203132.1 Ų132.188%0.88368%0.677SS**  trans-65.774.4170.1-80.3-177.6174.8179.30109.9Q69Q69-K71 PolarHBondContact O-N 3.45Å; Q69-K71 VanDerWaalsContact O-N 3.17Å
72R41.9Very low56.6Low225 Ų225128 Ų12885%0.84966%0.663SS**  trans-83.1110147.7-84.8-176178.3174.5-0.1105.3T70 S74T70-R72 PolarHBondContact O-N 2.82Å; R72-S74 VanDerWaalsContact C-N 3.35Å; R72-S74 PolarHBondContact O-N 3.48Å
73S39.8Very low59.2Low105 Ų105121.3 Ų121.373%0.73464%0.635SS**  trans-46.5101.5163.524.50000108.4I75S73-I75 PolarHBondContact O-N 2.86Å
74S46Very low61.9Low77 Ų77119.4 Ų119.454%0.53861%0.614SS.*  trans-75.877177.8640000107.9R72 Q76R72-S74 VanDerWaalsContact C-N 3.35Å; R72-S74 PolarHBondContact O-N 3.48Å; S74-Q76 VanDerWaalsContact C-N 3.31Å; S74-Q76 PolarHBondContact O-N 2.88Å
75I53.6Low64.5Low97 Ų97118.4 Ų118.450%0.49759%0.59SS.*  trans-63.1102.8163.5-63.4174.1000104.8S56 S73 E77S56-I75 WeakPolarHBondContact OG-CG2 3.31Å; S73-I75 PolarHBondContact O-N 2.86Å; I75-E77 HydrophobicContact CG2-CG 3.96Å; I75-E77 PolarHBondContact O-N 3.4Å
76Q58.6Low67.1Low144 Ų144114.1 Ų114.167%0.67356%0.56SS**EExtended strand (participates in β ladder)trans-84.595.5174.7-170.1171.8-5.300106.5S57 S74 S78S57-Q76 PolarHBondContact N-O 2.91Å; S57-Q76 PolarHBondContact OG-O 2.79Å; S74-Q76 VanDerWaalsContact C-N 3.31Å; S74-Q76 PolarHBondContact O-N 2.88Å; Q76-S78 PolarHBondContact O-N 3.42Å
77E72.3Confident69.3Low66 Ų66103.7 Ų103.731%0.30852%0.515SS..EExtended strand (participates in β ladder)trans-71.1121.3169.4-67.5-172.7167.700108.3I75 Y79I75-E77 HydrophobicContact CG2-CG 3.96Å; I75-E77 PolarHBondContact O-N 3.4Å; E77-Y79 HydrophobicContact CB-CE2 3.91Å; E77-Y79 PolarHBondContact OE2-OH 2.83Å
78S83.5Confident71.8Confident53 Ų5399.6 Ų99.637%0.37150%0.498SS..EExtended strand (participates in β ladder)trans-100.2128.7172.667.10000108.8C54 Q55 Q76C54-S78 WeakPolarHBondContact CA-O 3.44Å; Q55-S78 PolarHBondContact N-O 2.82Å; Q55-S78 PolarHBondContact O-N 3.36Å; Q55-S78 PolarHBondContact O-OG 2.92Å; Q76-S78 PolarHBondContact O-N 3.42Å
79Y90.6Very high74.2Confident20 Ų2095.3 Ų95.38%0.07848%0.477CS..EExtended strand (participates in β ladder)trans-105.9132.5178.4-63.4-92.1000108.9L5 E8 M9 L13 V52 H53 C54 E77L5-Y79 HydrophobicContact CD1-CE1 3.94Å; L5-Y79 WeakPolarHBondContact CD1-OH 3.39Å; E8-Y79 HydrophobicContact CG-CE2 4.18Å; M9-Y79 HydrophobicContact CG-CD1 4.04Å; M9-Y79 HydrophobicContact CG-CE1 3.86Å; M9-Y79 HydrophobicContact SD-CE1 4.38Å; L13-Y79 HydrophobicContact CD1-CG 4.4Å; L13-Y79 WeakPolarHBondContact CD2-O 3.2Å; V52-Y79 HydrophobicContact CG1-CD1 4.05Å; H53-Y79 WeakPolarHBondContact O-CA 3.47Å; C54-Y79 HydrophobicContact CB-CD1 3.97Å; C54-Y79 HydrophobicContact CB-CE1 3.88Å; E77-Y79 HydrophobicContact CB-CE2 3.91Å; E77-Y79 PolarHBondContact OE2-OH 2.83Å
80K92.5Very high76.8Confident147 Ų14787.1 Ų87.164%0.63944%0.438SS*.EExtended strand (participates in β ladder)trans-137.6133.6177.7-172.2178.8178.1-175.20110.4V52 H53V52-K80 CarbonylContact C-O 3.54Å; V52-K80 WeakPolarHBondContact CA-O 3.14Å; H53-K80 PolarHBondContact N-O 2.86Å; H53-K80 PolarHBondContact O-N 3.06Å
81R93.8Very high79.5Confident48 Ų4884.5 Ų84.518%0.18142%0.422CS..EExtended strand (participates in β ladder)trans-76.8125.1168.8-67.1-176.4-167152.612.9109.3L13 F14 I51 V52 I84L13-R81 PolarHBondContact O-NH2 2.83Å; F14-R81 VanDerWaalsContact CA-NH2 3.32Å; I51-R81 CarbonylContact O-C 3.56Å; I51-R81 VanDerWaalsContact O-CA 3.3Å; I51-R81 WeakPolarHBondContact O-CA 3.3Å; V52-R81 HydrophobicContact CG2-CG 4.02Å; R81-I84 HydrophobicContact CB-CD1 4.18Å; R81-I84 HydrophobicContact CB-CG1 4.27Å
82T93.9Very high82.3Confident73 Ų7375.8 Ų75.845%0.44839%0.385SS..EExtended strand (participates in β ladder)trans-98.4-43-179.749.40000111.3I51 H53I51-T82 WeakPolarHBondContact CB-OG1 3.37Å; I51-T82 WeakPolarHBondContact CG2-OG1 3.44Å; I51-T82 PolarHBondContact O-N 3.06Å; I51-T82 PolarHBondContact O-OG1 3.26Å; H53-T82 HydrophobicContact CB-CG2 3.89Å
83E95.9Very high85Confident66 Ų6665.1 Ų65.131%0.30835%0.345SS..EExtended strand (participates in β ladder)trans-129.9144.5-179.9-66168-105.100109.7S50 I51 W85 R113S50-E83 CarbonylContact C-O 3.56Å; S50-E83 WeakPolarHBondContact CA-O 3.37Å; S50-E83 VanDerWaalsContact CB-O 3.28Å; S50-E83 WeakPolarHBondContact CB-O 3.44Å; I51-E83 HydrophobicContact CB-CB 4.2Å; I51-E83 HydrophobicContact CG1-CB 3.97Å; I51-E83 PolarHBondContact N-O 3.43Å; E83-W85 HydrophobicContact CB-CE3 4.46Å; E83-W85 HydrophobicContact CB-CH2 3.37Å; E83-W85 HydrophobicContact CB-CZ2 3.69Å; E83-W85 HydrophobicContact CB-CZ3 3.8Å; E83-W85 HydrophobicContact CG-CH2 4.04Å; E83-W85 HydrophobicContact CG-CZ2 4.16Å; E83-W85 WeakPolarHBondContact OE2-CH2 3.43Å; E83-W85 WeakPolarHBondContact OE2-CZ2 3.38Å; E83-R113 IonicContact OE1-NH2 3.82Å; E83-R113 IonicContact OE2-NE 3.33Å
84I96.8Very high87.8Confident88 Ų8861.2 Ų61.245%0.45132%0.316SS..EExtended strand (participates in β ladder)trans-142.7128.5-178.8-55176.5000108.5Q48 L49 R81Q48-I84 HydrophobicContact CB-CG2 4.45Å; Q48-I84 HydrophobicContact CG-CG2 4.46Å; L49-I84 CarbonylContact O-C 3.48Å; L49-I84 WeakPolarHBondContact O-CA 3.43Å; R81-I84 HydrophobicContact CB-CD1 4.18Å; R81-I84 HydrophobicContact CB-CG1 4.27Å
85W97.5Very high90.2Very high43 Ų4357.6 Ų57.616%0.16329%0.29CS..EExtended strand (participates in β ladder)trans-129.6152.6175.5-56-85.3000111.2Q48 L49 I51 E83 F109 R113Q48-W85 CarbonylContact C-O 3.54Å; Q48-W85 VanDerWaalsContact CA-O 3.25Å; Q48-W85 WeakPolarHBondContact CA-O 3.42Å; L49-W85 HydrophobicContact CB-CE3 4.29Å; L49-W85 PolarHBondContact N-O 3.06Å; L49-W85 PolarHBondContact O-N 2.83Å; I51-W85 HydrophobicContact CD1-CH2 4.44Å; I51-W85 HydrophobicContact CD1-CZ3 4.11Å; I51-W85 HydrophobicContact CG1-CH2 3.85Å; I51-W85 HydrophobicContact CG1-CZ3 3.74Å; E83-W85 HydrophobicContact CB-CE3 4.46Å; E83-W85 HydrophobicContact CB-CH2 3.37Å; E83-W85 HydrophobicContact CB-CZ2 3.69Å; E83-W85 HydrophobicContact CB-CZ3 3.8Å; E83-W85 HydrophobicContact CG-CH2 4.04Å; E83-W85 HydrophobicContact CG-CZ2 4.16Å; E83-W85 WeakPolarHBondContact OE2-CH2 3.43Å; E83-W85 WeakPolarHBondContact OE2-CZ2 3.38Å; W85-F109 HydrophobicContact CB-CD1 4.01Å; W85-F109 HydrophobicContact CB-CE1 3.52Å; W85-F109 HydrophobicContact CB-CE2 4.17Å; W85-F109 HydrophobicContact CB-CZ 3.61Å; W85-F109 HydrophobicContact CD2-CD2 4.35Å; W85-F109 AromaticContact CD2-CE2 3.92Å; W85-F109 HydrophobicContact CD2-CE2 3.92Å; W85-F109 HydrophobicContact CD2-CZ 4.19Å; W85-F109 HydrophobicContact CE3-CE2 4.26Å; W85-F109 HydrophobicContact CE3-CZ 4.44Å; W85-F109 HydrophobicContact CG-CD1 4.26Å; W85-F109 HydrophobicContact CG-CD2 4.11Å; W85-F109 HydrophobicContact CG-CE1 4.05Å; W85-F109 AromaticContact CG-CE2 3.88Å; W85-F109 HydrophobicContact CG-CE2 3.88Å; W85-F109 HydrophobicContact CG-CG 4.28Å; W85-F109 AromaticContact CG-CZ 3.85Å; W85-F109 HydrophobicContact CG-CZ 3.85Å; W85-R113 HydrophobicContact CH2-CG 3.94Å; W85-R113 HydrophobicContact CZ2-CB 4.49Å; W85-R113 HydrophobicContact CZ2-CG 4.2Å
86S95.9Very high92.1Very high32 Ų3258.4 Ų58.422%0.22429%0.287CS..EExtended strand (participates in β ladder)trans-79.8137.9168.2-173.60000109.9H88 D89S86-H88 PolarHBondContact O-N 3.39Å; S86-H88 PolarHBondContact OG-N 3.03Å; S86-D89 VanDerWaalsContact CB-OD2 3.26Å; S86-D89 WeakPolarHBondContact CB-OD2 3.25Å; S86-D89 PolarHBondContact O-N 2.8Å; S86-D89 VanDerWaalsContact O-N 3.16Å
87L95.8Very high93.5Very high1 Ų154.6 Ų54.61%0.00527%0.272CS..G310 helixtrans-61.7-26.4170.9-175.963.1000111.6V47 L49 D89 L90 L130 L133 R140V47-L87 HydrophobicContact CB-CB 3.74Å; V47-L87 HydrophobicContact CB-CD2 3.76Å; V47-L87 HydrophobicContact CB-CG 4.42Å; V47-L87 HydrophobicContact CG1-CB 3.97Å; V47-L87 HydrophobicContact CG1-CD2 3.65Å; V47-L87 HydrophobicContact CG1-CG 4.43Å; V47-L87 HydrophobicContact CG2-CD2 4.14Å; V47-L87 PolarHBondContact O-N 3.36Å; L49-L87 HydrophobicContact CD1-CB 3.97Å; L49-L87 HydrophobicContact CD1-CD1 3.79Å; L87-D89 PolarHBondContact O-N 2.88Å; L87-L90 HydrophobicContact CD1-CB 4.35Å; L87-L90 HydrophobicContact CD1-CD2 3.82Å; L87-L90 WeakPolarHBondContact O-CB 3.33Å; L87-L90 PolarHBondContact O-N 3.4Å; L87-L130 HydrophobicContact CD1-CD2 3.93Å; L87-L133 HydrophobicContact CD2-CB 3.78Å; L87-R140 PolarHBondContact O-NH2 3.01Å
88H93.8Very high94.2Very high111 Ų11153.7 Ų53.751%0.51427%0.272SS..G310 helixtrans-61-32.7177.3-110.8-78.1000112.7S86 L90 R140S86-H88 PolarHBondContact O-N 3.39Å; S86-H88 PolarHBondContact OG-N 3.03Å; H88-L90 VanDerWaalsContact C-N 3.3Å; H88-R140 PolarHBondContact O-NH2 3.11Å
89D95.5Very high94.4Very high95 Ų9558.5 Ų58.551%0.50829%0.293SS..G310 helixtrans-83.5-9.2-176.6-52.6-25.2000112.1S86 L87 T91 F109S86-D89 VanDerWaalsContact CB-OD2 3.26Å; S86-D89 WeakPolarHBondContact CB-OD2 3.25Å; S86-D89 PolarHBondContact O-N 2.8Å; S86-D89 VanDerWaalsContact O-N 3.16Å; L87-D89 PolarHBondContact O-N 2.88Å; D89-T91 PolarHBondContact O-N 2.9Å; D89-F109 HydrophobicContact CB-CD1 4.07Å
90L97.3Very high94.4Very high0 Ų061.5 Ų61.50%031%0.313CS..  trans-74.9107.6178.7-174.761.8000110.2L87 H88 V93 L107 F109 L130 R140 L142L87-L90 HydrophobicContact CD1-CB 4.35Å; L87-L90 HydrophobicContact CD1-CD2 3.82Å; L87-L90 WeakPolarHBondContact O-CB 3.33Å; L87-L90 PolarHBondContact O-N 3.4Å; H88-L90 VanDerWaalsContact C-N 3.3Å; L90-V93 HydrophobicContact CD1-CG2 4.22Å; L90-V93 HydrophobicContact CD2-CG2 3.74Å; L90-V93 HydrophobicContact CG-CG2 4.18Å; L90-L107 HydrophobicContact CD1-CB 4Å; L90-L107 HydrophobicContact CD1-CD2 4.03Å; L90-L107 HydrophobicContact CD2-CD2 4.4Å; L90-F109 HydrophobicContact CB-CD1 4.11Å; L90-F109 HydrophobicContact CB-CE1 3.64Å; L90-F109 HydrophobicContact CB-CZ 4.3Å; L90-F109 HydrophobicContact CD1-CD1 4.23Å; L90-F109 HydrophobicContact CD1-CD2 4.47Å; L90-F109 HydrophobicContact CD1-CE1 3.85Å; L90-F109 HydrophobicContact CD1-CE2 4.12Å; L90-F109 HydrophobicContact CD1-CZ 3.79Å; L90-F109 HydrophobicContact CG-CE1 4.28Å; L90-L130 HydrophobicContact CD2-CD1 4.3Å; L90-R140 PolarHBondContact O-NH1 2.81Å; L90-R140 PolarHBondContact O-NH2 3.28Å; L90-L142 HydrophobicContact CD2-CD1 3.91Å; L90-L142 HydrophobicContact CD2-CD2 4.5Å; L90-L142 HydrophobicContact CG-CD1 4.09Å
91T96.4Very high94.2Very high81 Ų8161.1 Ų61.150%0.49732%0.318SS..  trans-88.3-37.5-175.659.10000112.6D89 H108 N143D89-T91 PolarHBondContact O-N 2.9Å; T91-H108 PolarHBondContact N-O 3.33Å; T91-H108 PolarHBondContact OG1-O 3.43Å; T91-N143 WeakPolarHBondContact O-CB 3.25Å
92L97.5Very high94.1Very high20 Ų2059.9 Ų59.911%0.10532%0.315CS..EExtended strand (participates in β ladder)trans-149.4144.9-175.8166.168.6000110.4H108 N143 Q145L92-H108 HydrophobicContact CB-CB 3.86Å; L92-H108 WeakPolarHBondContact O-CB 3.36Å; L92-H108 PolarHBondContact O-N 3.26Å; L92-N143 HydrophobicContact CD1-CB 4.26Å; L92-Q145 HydrophobicContact CD1-CB 3.94Å; L92-Q145 HydrophobicContact CD1-CG 3.56Å
93V98Very high94.2Very high0 Ų057.9 Ų57.90%030%0.303CS..EExtended strand (participates in β ladder)trans-117.5124162.1-171.20000108.4L90 F105 L106 L107 V127 L130 L142 N143 L144 Q145 F147L90-V93 HydrophobicContact CD1-CG2 4.22Å; L90-V93 HydrophobicContact CD2-CG2 3.74Å; L90-V93 HydrophobicContact CG-CG2 4.18Å; V93-F105 HydrophobicContact CG1-CD2 4.09Å; V93-L106 WeakPolarHBondContact CA-O 3.35Å; V93-L107 HydrophobicContact CG1-CD2 4.01Å; V93-L107 HydrophobicContact CG2-CD2 3.91Å; V93-V127 HydrophobicContact CG1-CG2 4.18Å; V93-L130 HydrophobicContact CG2-CD1 4.45Å; V93-L142 HydrophobicContact CG2-CD1 4.2Å; V93-L142 HydrophobicContact CG2-CD2 3.91Å; V93-L142 HydrophobicContact CG2-CG 4.25Å; V93-N143 PolarHBondContact N-O 3.44Å; V93-L144 HydrophobicContact CB-CD2 3.82Å; V93-L144 HydrophobicContact CG2-CD2 4.3Å; V93-L144 WeakPolarHBondContact O-CA 3.24Å; V93-Q145 PolarHBondContact O-N 3.11Å; V93-F147 HydrophobicContact CB-CE2 4.25Å; V93-F147 HydrophobicContact CG1-CE2 3.76Å; V93-F147 HydrophobicContact CG1-CZ 3.85Å
94D97.9Very high94.3Very high24 Ų2454.8 Ų54.813%0.12829%0.289CS..EExtended strand (participates in β ladder)trans-113.4121.1-178.4-176.5-10.8000109.9R96 F105 L106 Q145 N146D94-R96 PolarHBondContact O-N 2.84Å; D94-R96 WeakPolarHBondContact OD1-CA 3.38Å; D94-R96 PolarHBondContact OD1-N 3.29Å; D94-F105 CarbonylContact O-C 3.51Å; D94-F105 VanDerWaalsContact O-CA 3.25Å; D94-F105 WeakPolarHBondContact O-CA 3.19Å; D94-F105 WeakPolarHBondContact O-CB 3.15Å; D94-L106 HydrophobicContact CB-CB 4.18Å; D94-L106 PolarHBondContact N-O 3.21Å; D94-L106 PolarHBondContact O-N 3.03Å; D94-Q145 WeakPolarHBondContact CA-O 3.28Å; D94-Q145 HydrophobicContact CB-CB 4.49Å; D94-N146 WeakPolarHBondContact OD1-CB 3.41Å; D94-N146 PolarHBondContact OD1-ND2 2.73Å
95G96.3Very high94.4Very high0 Ų050.6 Ų50.60%027%0.267CS..  trans-81.22.717900000115D97 K123 Q145 N146G95-D97 VanDerWaalsContact C-N 3.27Å; G95-D97 PolarHBondContact O-N 3.13Å; G95-K123 PolarHBondContact O-NZ 3.16Å; G95-Q145 PolarHBondContact N-O 3.08Å; G95-N146 CarbonylContact C-O 3.51Å; G95-N146 WeakPolarHBondContact CA-O 3.24Å
96R93.8Very high94.4Very high115 Ų11550.1 Ų50.143%0.43427%0.268SS..SBendtrans64.9-68.8-172.8-55.1-159.2-62.8-176.7-5.1114.2D94 D102 C104 L106 N146D94-R96 PolarHBondContact O-N 2.84Å; D94-R96 WeakPolarHBondContact OD1-CA 3.38Å; D94-R96 PolarHBondContact OD1-N 3.29Å; R96-D102 IonicContact CZ-OD1 2.61Å; R96-D102 IonicContact CZ-OD2 2.75Å; R96-D102 IonicContact NE-OD2 2.88Å; R96-D102 PolarHBondContact NE-OD2 2.76Å; R96-D102 IonicContact NH2-OD1 2.96Å; R96-D102 PolarHBondContact NH2-OD1 3.41Å; R96-D102 IonicContact NH2-OD2 3.91Å; R96-D102 PolarHBondContact NH2-OD2 3.24Å; R96-C104 PolarHBondContact NE-SG 2.99Å; R96-L106 HydrophobicContact CG-CG 4.37Å; R96-N146 WeakPolarHBondContact O-CB 3.29Å; R96-N146 VanDerWaalsContact O-CG 3.31Å; R96-N146 PolarHBondContact O-ND2 3.41Å
97D89.3Confident94.5Very high64 Ų6448.6 Ų48.634%0.34226%0.257SS..  trans-141.2118-177.5-168.2-31.8000108.9G95 D99 V100G95-D97 VanDerWaalsContact C-N 3.27Å; G95-D97 PolarHBondContact O-N 3.13Å; D97-D99 VanDerWaalsContact C-N 3.34Å; D97-D99 PolarHBondContact OD1-N 2.95Å; D97-V100 HydrophobicContact CB-CB 4.22Å; D97-V100 HydrophobicContact CB-CG2 4.24Å; D97-V100 PolarHBondContact OD1-N 3.26Å; D97-V100 WeakPolarHBondContact OD2-CG2 3.34Å
98P87.1Confident94.6Very high47 Ų4750.3 Ų50.331%0.30527%0.265SS..SBendtrans-76-20.8179.431.9-34.1000113.3
99D87.5Confident94.7Very high154 Ų15445.9 Ų45.982%0.82425%0.245SC*.SBendtrans-91.2-8.6-174.1-62.6-43.1000112.4D97D97-D99 VanDerWaalsContact C-N 3.34Å; D97-D99 PolarHBondContact OD1-N 2.95Å
100V89.4Confident94.7Very high82 Ų8247.8 Ų47.850%0.49726%0.255SS..SBendtrans-108138.2178-1790000110.4D97 D102D97-V100 HydrophobicContact CB-CB 4.22Å; D97-V100 HydrophobicContact CB-CG2 4.24Å; D97-V100 PolarHBondContact OD1-N 3.26Å; D97-V100 WeakPolarHBondContact OD2-CG2 3.34Å; V100-D102 HydrophobicContact CG1-CB 4.15Å; V100-D102 PolarHBondContact O-N 3.36Å
101D88.4Confident94.6Very high139 Ų13955.2 Ų55.274%0.74329%0.287SS*.  trans-75.267.5173.7-164.933.5000111.1C120D101-C120 VanDerWaalsContact C-SG 3.57Å; D101-C120 WeakPolarHBondContact OD1-CB 3.45Å; D101-C120 PolarHBondContact OD1-SG 2.75Å
102D93.2Very high94.7Very high23 Ų2355.2 Ų55.212%0.12329%0.287CS..  trans-108.7120.4-178.317127.7000110.8R96 V100 C104 K123R96-D102 IonicContact CZ-OD1 2.61Å; R96-D102 IonicContact CZ-OD2 2.75Å; R96-D102 IonicContact NE-OD2 2.88Å; R96-D102 PolarHBondContact NE-OD2 2.76Å; R96-D102 IonicContact NH2-OD1 2.96Å; R96-D102 PolarHBondContact NH2-OD1 3.41Å; R96-D102 IonicContact NH2-OD2 3.91Å; R96-D102 PolarHBondContact NH2-OD2 3.24Å; V100-D102 HydrophobicContact CG1-CB 4.15Å; V100-D102 PolarHBondContact O-N 3.36Å; D102-C104 PolarHBondContact O-N 2.86Å; D102-C104 WeakPolarHBondContact OD1-CB 3.37Å; D102-C104 PolarHBondContact OD1-N 3.37Å; D102-K123 VanDerWaalsContact O-CE 3.24Å; D102-K123 WeakPolarHBondContact O-CE 3.41Å; D102-K123 PolarHBondContact O-NZ 3.13Å
103P95.9Very high94.7Very high31 Ų3157.1 Ų57.120%0.20129%0.293CS..  trans-80.60.1-17833.9-37.2000113.6M116 A117 C120P103-M116 HydrophobicContact CG-CE 4.36Å; P103-A117 HydrophobicContact CB-CB 4.26Å; P103-A117 VanDerWaalsContact CB-O 3.26Å; P103-A117 WeakPolarHBondContact CB-O 3.46Å; P103-A117 WeakPolarHBondContact O-CB 3.32Å; P103-A117 PolarHBondContact O-N 2.79Å; P103-C120 VanDerWaalsContact CA-SG 3.58Å
104C97.3Very high94.7Very high0 Ų060.5 Ų60.50%031%0.313CS..EExtended strand (participates in β ladder)trans-78.5148.3177.3-170.30000113R96 D102 T114 V115 M116 K123R96-C104 PolarHBondContact NE-SG 2.99Å; D102-C104 PolarHBondContact O-N 2.86Å; D102-C104 WeakPolarHBondContact OD1-CB 3.37Å; D102-C104 PolarHBondContact OD1-N 3.37Å; C104-T114 VanDerWaalsContact SG-CG2 3.57Å; C104-V115 VanDerWaalsContact CA-O 3.29Å; C104-V115 WeakPolarHBondContact CA-O 3.42Å; C104-M116 HydrophobicContact CB-CE 3.86Å; C104-M116 HydrophobicContact CB-SD 3.36Å; C104-M116 WeakPolarHBondContact CB-SD 3.43Å; C104-M116 PolarHBondContact SG-SD 3.39Å; C104-K123 WeakPolarHBondContact O-CD 3.36Å
105F97.9Very high94.7Very high0 Ų059.4 Ų59.40%031%0.307CS..EExtended strand (participates in β ladder)trans-154.4160.5169.157.8-75.7000110.5I25 L37 V93 D94 L107 V115 A117 K123 M126 F147I25-F105 HydrophobicContact CD1-CE1 4.26Å; I25-F105 HydrophobicContact CD1-CZ 4.16Å; L37-F105 HydrophobicContact CD2-CE2 4.2Å; L37-F105 HydrophobicContact CD2-CZ 3.86Å; V93-F105 HydrophobicContact CG1-CD2 4.09Å; D94-F105 CarbonylContact O-C 3.51Å; D94-F105 VanDerWaalsContact O-CA 3.25Å; D94-F105 WeakPolarHBondContact O-CA 3.19Å; D94-F105 WeakPolarHBondContact O-CB 3.15Å; F105-L107 HydrophobicContact CD2-CD2 4.13Å; F105-L107 HydrophobicContact CD2-CG 4.29Å; F105-L107 HydrophobicContact CE2-CD1 4.39Å; F105-L107 HydrophobicContact CE2-CD2 3.97Å; F105-L107 HydrophobicContact CE2-CG 4.1Å; F105-V115 HydrophobicContact CD1-CB 4.28Å; F105-V115 HydrophobicContact CD1-CG1 4.47Å; F105-V115 HydrophobicContact CD2-CB 4.33Å; F105-V115 HydrophobicContact CE1-CB 3.85Å; F105-V115 HydrophobicContact CE1-CG1 3.61Å; F105-V115 HydrophobicContact CE2-CB 3.92Å; F105-V115 HydrophobicContact CE2-CG1 4.17Å; F105-V115 HydrophobicContact CE2-CG2 4.21Å; F105-V115 HydrophobicContact CZ-CB 3.67Å; F105-V115 HydrophobicContact CZ-CG1 3.44Å; F105-V115 VanDerWaalsContact CZ-CG1 3.44Å; F105-V115 HydrophobicContact CZ-CG2 4.31Å; F105-V115 PolarHBondContact N-O 3.2Å; F105-V115 PolarHBondContact O-N 3.37Å; F105-A117 HydrophobicContact CE1-CB 4.32Å; F105-K123 HydrophobicContact CB-CD 4.08Å; F105-K123 HydrophobicContact CB-CG 4.34Å; F105-K123 HydrophobicContact CD1-CB 4.04Å; F105-K123 HydrophobicContact CD1-CD 3.93Å; F105-K123 HydrophobicContact CD1-CG 3.59Å; F105-K123 HydrophobicContact CE1-CB 4.21Å; F105-K123 HydrophobicContact CE1-CG 4.18Å; F105-K123 HydrophobicContact CG-CD 4.36Å; F105-K123 HydrophobicContact CG-CG 4.15Å; F105-M126 HydrophobicContact CZ-CG 4.47Å; F105-F147 HydrophobicContact CB-CZ 4.2Å
106L98.4Very high94.8Very high34 Ų3462.2 Ų62.218%0.17832%0.321CS..EExtended strand (participates in β ladder)trans-111.5132.2-178.2-48178.3000110V93 D94 R96 V112 T114V93-L106 WeakPolarHBondContact CA-O 3.35Å; D94-L106 HydrophobicContact CB-CB 4.18Å; D94-L106 PolarHBondContact N-O 3.21Å; D94-L106 PolarHBondContact O-N 3.03Å; R96-L106 HydrophobicContact CG-CG 4.37Å; L106-V112 HydrophobicContact CB-CG1 3.97Å; L106-V112 HydrophobicContact CD1-CG1 4.37Å; L106-V112 HydrophobicContact CD2-CG1 4.48Å; L106-T114 HydrophobicContact CD2-CG2 3.83Å; L106-T114 WeakPolarHBondContact CD2-OG1 3.32Å
107L98.4Very high94.9Very high0 Ų056.8 Ų56.80%030%0.301CS..EExtended strand (participates in β ladder)trans-103.3117.1171.4-61.9174.6000108.8L37 L49 L90 V93 F105 F109 V112 R113 V115 L130L37-L107 HydrophobicContact CD2-CD1 4.33Å; L49-L107 HydrophobicContact CD2-CD1 4.17Å; L90-L107 HydrophobicContact CD1-CB 4Å; L90-L107 HydrophobicContact CD1-CD2 4.03Å; L90-L107 HydrophobicContact CD2-CD2 4.4Å; V93-L107 HydrophobicContact CG1-CD2 4.01Å; V93-L107 HydrophobicContact CG2-CD2 3.91Å; F105-L107 HydrophobicContact CD2-CD2 4.13Å; F105-L107 HydrophobicContact CD2-CG 4.29Å; F105-L107 HydrophobicContact CE2-CD1 4.39Å; F105-L107 HydrophobicContact CE2-CD2 3.97Å; F105-L107 HydrophobicContact CE2-CG 4.1Å; L107-F109 HydrophobicContact CB-CD2 4.13Å; L107-F109 HydrophobicContact CB-CE2 3.61Å; L107-F109 HydrophobicContact CB-CZ 4.4Å; L107-F109 HydrophobicContact CD1-CE2 4.13Å; L107-F109 HydrophobicContact CG-CE2 4.47Å; L107-V112 WeakPolarHBondContact O-CA 3.26Å; L107-R113 HydrophobicContact CB-CB 4.38Å; L107-R113 PolarHBondContact N-O 3.07Å; L107-R113 PolarHBondContact O-N 3.18Å; L107-V115 HydrophobicContact CD1-CG2 3.83Å; L107-V115 HydrophobicContact CG-CG2 4.22Å; L107-L130 HydrophobicContact CD2-CD1 4.27Å
108H98.1Very high95.3Very high37 Ų3757.2 Ų57.217%0.17131%0.305CS..EExtended strand (participates in β ladder)trans-96.4100.3-178.4-64.6-115.3000110.1T91 L92T91-H108 PolarHBondContact N-O 3.33Å; T91-H108 PolarHBondContact OG1-O 3.43Å; L92-H108 HydrophobicContact CB-CB 3.86Å; L92-H108 WeakPolarHBondContact O-CB 3.36Å; L92-H108 PolarHBondContact O-N 3.26Å
109F96.2Very high95.6Very high18 Ų1858.3 Ų58.38%0.07931%0.312CS..SBendtrans-100.9-138.7168.4-60.7-80.5000109.6L49 W85 D89 L90 L107 K111L49-F109 HydrophobicContact CD1-CE1 4.45Å; L49-F109 HydrophobicContact CD1-CZ 4.25Å; L49-F109 HydrophobicContact CD2-CZ 4.21Å; W85-F109 HydrophobicContact CB-CD1 4.01Å; W85-F109 HydrophobicContact CB-CE1 3.52Å; W85-F109 HydrophobicContact CB-CE2 4.17Å; W85-F109 HydrophobicContact CB-CZ 3.61Å; W85-F109 HydrophobicContact CD2-CD2 4.35Å; W85-F109 AromaticContact CD2-CE2 3.92Å; W85-F109 HydrophobicContact CD2-CE2 3.92Å; W85-F109 HydrophobicContact CD2-CZ 4.19Å; W85-F109 HydrophobicContact CE3-CE2 4.26Å; W85-F109 HydrophobicContact CE3-CZ 4.44Å; W85-F109 HydrophobicContact CG-CD1 4.26Å; W85-F109 HydrophobicContact CG-CD2 4.11Å; W85-F109 HydrophobicContact CG-CE1 4.05Å; W85-F109 AromaticContact CG-CE2 3.88Å; W85-F109 HydrophobicContact CG-CE2 3.88Å; W85-F109 HydrophobicContact CG-CG 4.28Å; W85-F109 AromaticContact CG-CZ 3.85Å; W85-F109 HydrophobicContact CG-CZ 3.85Å; D89-F109 HydrophobicContact CB-CD1 4.07Å; L90-F109 HydrophobicContact CB-CD1 4.11Å; L90-F109 HydrophobicContact CB-CE1 3.64Å; L90-F109 HydrophobicContact CB-CZ 4.3Å; L90-F109 HydrophobicContact CD1-CD1 4.23Å; L90-F109 HydrophobicContact CD1-CD2 4.47Å; L90-F109 HydrophobicContact CD1-CE1 3.85Å; L90-F109 HydrophobicContact CD1-CE2 4.12Å; L90-F109 HydrophobicContact CD1-CZ 3.79Å; L90-F109 HydrophobicContact CG-CE1 4.28Å; L107-F109 HydrophobicContact CB-CD2 4.13Å; L107-F109 HydrophobicContact CB-CE2 3.61Å; L107-F109 HydrophobicContact CB-CZ 4.4Å; L107-F109 HydrophobicContact CD1-CE2 4.13Å; L107-F109 HydrophobicContact CG-CE2 4.47Å; F109-K111 VanDerWaalsContact C-N 3.25Å; F109-K111 PolarHBondContact N-O 3.35Å
110D94.9Very high95.9Very high135 Ų13551.8 Ų51.872%0.72228%0.278SS*.SBendtrans-62.3-37.3162.367.3-41.7000111.3
111K95.4Very high96.1Very high156 Ų15651.9 Ų51.968%0.67828%0.282SS*.SBendtrans-118.6147.5171.6-64.9179.9-175.9178.90109.7F109 R113F109-K111 VanDerWaalsContact C-N 3.25Å; F109-K111 PolarHBondContact N-O 3.35Å; K111-R113 PolarHBondContact O-N 2.78Å
112V97.6Very high96.4Very high81 Ų8146 Ų4649%0.49125%0.252SS..EExtended strand (participates in β ladder)trans-76.2122.8173.6-176.60000108.7L106 L107L106-V112 HydrophobicContact CB-CG1 3.97Å; L106-V112 HydrophobicContact CD1-CG1 4.37Å; L106-V112 HydrophobicContact CD2-CG1 4.48Å; L107-V112 WeakPolarHBondContact O-CA 3.26Å
113R97.6Very high96.5Very high60 Ų6044.9 Ų44.923%0.22625%0.247CC..EExtended strand (participates in β ladder)trans-106.8112.6174177.264.5-174.3156.20.6109.7E29 E83 W85 L107 K111 V115E29-R113 IonicContact OE1-CZ 3.96Å; E29-R113 IonicContact OE1-NH2 2.76Å; E29-R113 PolarHBondContact OE1-NH2 3.13Å; E29-R113 IonicContact OE2-CZ 3.85Å; E29-R113 IonicContact OE2-NH2 3.96Å; E29-R113 PolarHBondContact OE2-NH2 2.97Å; E83-R113 IonicContact OE1-NH2 3.82Å; E83-R113 IonicContact OE2-NE 3.33Å; W85-R113 HydrophobicContact CH2-CG 3.94Å; W85-R113 HydrophobicContact CZ2-CB 4.49Å; W85-R113 HydrophobicContact CZ2-CG 4.2Å; L107-R113 HydrophobicContact CB-CB 4.38Å; L107-R113 PolarHBondContact N-O 3.07Å; L107-R113 PolarHBondContact O-N 3.18Å; K111-R113 PolarHBondContact O-N 2.78Å; R113-V115 HydrophobicContact CG-CG2 4.21Å
114T97.9Very high96.5Very high70 Ų7045 Ų4543%0.42924%0.243SC..EExtended strand (participates in β ladder)trans-74.3132.6170.6-51.50000110.2C104 L106C104-T114 VanDerWaalsContact SG-CG2 3.57Å; L106-T114 HydrophobicContact CD2-CG2 3.83Å; L106-T114 WeakPolarHBondContact CD2-OG1 3.32Å
115V98.1Very high96.4Very high1 Ų146.6 Ų46.61%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-126.4125178.2-177.80000109.4I27 L37 C104 F105 L107 R113I27-V115 HydrophobicContact CB-CG1 4.31Å; I27-V115 HydrophobicContact CG2-CG1 3.65Å; L37-V115 HydrophobicContact CD2-CG1 4.15Å; L37-V115 HydrophobicContact CD2-CG2 4.49Å; C104-V115 VanDerWaalsContact CA-O 3.29Å; C104-V115 WeakPolarHBondContact CA-O 3.42Å; F105-V115 HydrophobicContact CD1-CB 4.28Å; F105-V115 HydrophobicContact CD1-CG1 4.47Å; F105-V115 HydrophobicContact CD2-CB 4.33Å; F105-V115 HydrophobicContact CE1-CB 3.85Å; F105-V115 HydrophobicContact CE1-CG1 3.61Å; F105-V115 HydrophobicContact CE2-CB 3.92Å; F105-V115 HydrophobicContact CE2-CG1 4.17Å; F105-V115 HydrophobicContact CE2-CG2 4.21Å; F105-V115 HydrophobicContact CZ-CB 3.67Å; F105-V115 HydrophobicContact CZ-CG1 3.44Å; F105-V115 VanDerWaalsContact CZ-CG1 3.44Å; F105-V115 HydrophobicContact CZ-CG2 4.31Å; F105-V115 PolarHBondContact N-O 3.2Å; F105-V115 PolarHBondContact O-N 3.37Å; L107-V115 HydrophobicContact CD1-CG2 3.83Å; L107-V115 HydrophobicContact CG-CG2 4.22Å; R113-V115 HydrophobicContact CG-CG2 4.21Å
116M97.9Very high96.4Very high60 Ų6046.6 Ų46.630%0.29625%0.253SS..EExtended strand (participates in β ladder)trans-102.1104.1173.3-63.9-58.5-54.600108.8I27 E28 P103 C104I27-M116 CarbonylContact C-O 3.18Å; I27-M116 WeakPolarHBondContact CA-O 3.35Å; I27-M116 VanDerWaalsContact CB-O 3.29Å; I27-M116 WeakPolarHBondContact CB-O 3.47Å; E28-M116 HydrophobicContact CB-CB 3.99Å; E28-M116 PolarHBondContact N-O 2.92Å; P103-M116 HydrophobicContact CG-CE 4.36Å; C104-M116 HydrophobicContact CB-CE 3.86Å; C104-M116 HydrophobicContact CB-SD 3.36Å; C104-M116 WeakPolarHBondContact CB-SD 3.43Å; C104-M116 PolarHBondContact SG-SD 3.39Å
117A97.4Very high96.3Very high0 Ų045 Ų450%024%0.244CC..EExtended strand (participates in β ladder)trans-73154.5172.700000110.8I25 P103 F105 T119 A122 K123I25-A117 HydrophobicContact CD1-CB 3.93Å; P103-A117 HydrophobicContact CB-CB 4.26Å; P103-A117 VanDerWaalsContact CB-O 3.26Å; P103-A117 WeakPolarHBondContact CB-O 3.46Å; P103-A117 WeakPolarHBondContact O-CB 3.32Å; P103-A117 PolarHBondContact O-N 2.79Å; F105-A117 HydrophobicContact CE1-CB 4.32Å; A117-T119 WeakPolarHBondContact CB-O 3.32Å; A117-T119 PolarHBondContact O-N 2.9Å; A117-A122 HydrophobicContact CB-CB 4.19Å; A117-K123 HydrophobicContact CB-CB 4.29Å
118V95.6Very high96.2Very high73 Ų7349.2 Ų49.244%0.44226%0.261SS..SBendtrans-66.4-23.3173.41750000112.1E26 E28E26-V118 HydrophobicContact CB-CG2 3.87Å; E26-V118 HydrophobicContact CG-CG2 3.74Å; E26-V118 PolarHBondContact O-N 3.38Å; E26-V118 VanDerWaalsContact O-N 3.13Å; E28-V118 HydrophobicContact CG-CG2 4.49Å
119T95Very high96.1Very high71 Ų7148.1 Ų48.144%0.43626%0.258SS..SBendtrans-146.7154.6176.763.20000111.8A117 S121 A122 K123A117-T119 WeakPolarHBondContact CB-O 3.32Å; A117-T119 PolarHBondContact O-N 2.9Å; T119-S121 VanDerWaalsContact C-N 3.3Å; T119-S121 PolarHBondContact O-N 2.88Å; T119-A122 WeakPolarHBondContact O-CB 3.07Å; T119-A122 PolarHBondContact O-N 2.98Å; T119-A122 VanDerWaalsContact O-N 3.08Å; T119-A122 VanDerWaalsContact OG1-CB 3.27Å; T119-A122 WeakPolarHBondContact OG1-CB 3.35Å; T119-A122 PolarHBondContact OG1-N 3.03Å; T119-A122 VanDerWaalsContact OG1-N 3.11Å; T119-K123 PolarHBondContact O-N 3.29Å; T119-K123 VanDerWaalsContact O-N 3.11Å
120C93.9Very high96.1Very high17 Ų1747.3 Ų47.312%0.11525%0.254CS..Hα-helixtrans-63.6-37.4174.5-60.70000111.8D101 P103 A122 K123 Y124D101-C120 VanDerWaalsContact C-SG 3.57Å; D101-C120 WeakPolarHBondContact OD1-CB 3.45Å; D101-C120 PolarHBondContact OD1-SG 2.75Å; P103-C120 VanDerWaalsContact CA-SG 3.58Å; C120-A122 PolarHBondContact O-N 3.47Å; C120-K123 VanDerWaalsContact O-CB 3.3Å; C120-K123 WeakPolarHBondContact O-CB 3.48Å; C120-K123 PolarHBondContact O-N 3.32Å; C120-K123 VanDerWaalsContact O-N 3.11Å; C120-Y124 VanDerWaalsContact O-CD2 3.29Å; C120-Y124 WeakPolarHBondContact O-CD2 3.41Å; C120-Y124 PolarHBondContact O-N 2.65Å
121S92.9Very high96.1Very high84 Ų8441.2 Ų41.259%0.58722%0.222SC*.Hα-helixtrans-58-37.4172.5-177.80000112.5T119 T125T119-S121 VanDerWaalsContact C-N 3.3Å; T119-S121 PolarHBondContact O-N 2.88Å; S121-T125 VanDerWaalsContact O-CB 3.29Å; S121-T125 WeakPolarHBondContact O-CB 3.47Å; S121-T125 PolarHBondContact O-N 3.09Å; S121-T125 PolarHBondContact O-OG1 3.18Å
122A95.1Very high96Very high14 Ų1436.6 Ų36.612%0.11621%0.213CC..Hα-helixtrans-67.2-44174.100000111.8I25 A117 T119 C120 Y124 T125 M126I25-A122 HydrophobicContact CB-CB 4.06Å; I25-A122 HydrophobicContact CD1-CB 4.49Å; I25-A122 HydrophobicContact CG2-CB 3.87Å; I25-A122 WeakPolarHBondContact CG2-O 3.47Å; A117-A122 HydrophobicContact CB-CB 4.19Å; T119-A122 WeakPolarHBondContact O-CB 3.07Å; T119-A122 PolarHBondContact O-N 2.98Å; T119-A122 VanDerWaalsContact O-N 3.08Å; T119-A122 VanDerWaalsContact OG1-CB 3.27Å; T119-A122 WeakPolarHBondContact OG1-CB 3.35Å; T119-A122 PolarHBondContact OG1-N 3.03Å; T119-A122 VanDerWaalsContact OG1-N 3.11Å; C120-A122 PolarHBondContact O-N 3.47Å; A122-Y124 PolarHBondContact O-N 3.46Å; A122-T125 PolarHBondContact O-N 3.24Å; A122-M126 PolarHBondContact O-N 3.32Å
123K95.9Very high95.9Very high1 Ų133.2 Ų33.20%0.00419%0.192CC..Hα-helixtrans-48.5-59170.7169.9177.488169.20110.8G95 D102 C104 F105 A117 T119 C120 T125 M126 V127 F147G95-K123 PolarHBondContact O-NZ 3.16Å; D102-K123 VanDerWaalsContact O-CE 3.24Å; D102-K123 WeakPolarHBondContact O-CE 3.41Å; D102-K123 PolarHBondContact O-NZ 3.13Å; C104-K123 WeakPolarHBondContact O-CD 3.36Å; F105-K123 HydrophobicContact CB-CD 4.08Å; F105-K123 HydrophobicContact CB-CG 4.34Å; F105-K123 HydrophobicContact CD1-CB 4.04Å; F105-K123 HydrophobicContact CD1-CD 3.93Å; F105-K123 HydrophobicContact CD1-CG 3.59Å; F105-K123 HydrophobicContact CE1-CB 4.21Å; F105-K123 HydrophobicContact CE1-CG 4.18Å; F105-K123 HydrophobicContact CG-CD 4.36Å; F105-K123 HydrophobicContact CG-CG 4.15Å; A117-K123 HydrophobicContact CB-CB 4.29Å; T119-K123 PolarHBondContact O-N 3.29Å; T119-K123 VanDerWaalsContact O-N 3.11Å; C120-K123 VanDerWaalsContact O-CB 3.3Å; C120-K123 WeakPolarHBondContact O-CB 3.48Å; C120-K123 PolarHBondContact O-N 3.32Å; C120-K123 VanDerWaalsContact O-N 3.11Å; K123-T125 VanDerWaalsContact C-N 3.32Å; K123-T125 PolarHBondContact O-N 3.42Å; K123-M126 PolarHBondContact O-N 3.44Å; K123-V127 WeakPolarHBondContact O-CG2 3.2Å; K123-V127 PolarHBondContact O-N 2.92Å; K123-F147 HydrophobicContact CD-CE1 4.12Å; K123-F147 HydrophobicContact CG-CE1 4.1Å
124Y95.4Very high95.7Very high33 Ų3330.3 Ų30.313%0.12918%0.181CC..Hα-helixtrans-63-35.9-179.2-77.8-83.8000113.1C120 A122 R128 F147 I152C120-Y124 VanDerWaalsContact O-CD2 3.29Å; C120-Y124 WeakPolarHBondContact O-CD2 3.41Å; C120-Y124 PolarHBondContact O-N 2.65Å; A122-Y124 PolarHBondContact O-N 3.46Å; Y124-R128 WeakPolarHBondContact O-CB 3.19Å; Y124-R128 VanDerWaalsContact O-CG 3.28Å; Y124-R128 WeakPolarHBondContact O-CG 3.18Å; Y124-R128 PolarHBondContact O-N 2.92Å; Y124-F147 HydrophobicContact CD1-CD1 4.4Å; Y124-F147 AromaticContact CE1-CD1 3.87Å; Y124-F147 HydrophobicContact CE1-CD1 3.87Å; Y124-I152 HydrophobicContact CD1-CD1 3.5Å; Y124-I152 HydrophobicContact CD1-CG1 4.14Å; Y124-I152 HydrophobicContact CE1-CD1 4.1Å; Y124-I152 HydrophobicContact CE1-CG1 4.34Å; Y124-I152 HydrophobicContact CG-CD1 4.49Å
125T95.1Very high95.4Very high33 Ų3330.3 Ų30.320%0.20218%0.178CC..Hα-helixtrans-62.7-43.7175.8-62.60000111.9E23 S121 A122 K123 R128 A129E23-T125 HydrophobicContact CG-CG2 4.34Å; S121-T125 VanDerWaalsContact O-CB 3.29Å; S121-T125 WeakPolarHBondContact O-CB 3.47Å; S121-T125 PolarHBondContact O-N 3.09Å; S121-T125 PolarHBondContact O-OG1 3.18Å; A122-T125 PolarHBondContact O-N 3.24Å; K123-T125 VanDerWaalsContact C-N 3.32Å; K123-T125 PolarHBondContact O-N 3.42Å; T125-R128 PolarHBondContact OG1-NH2 2.8Å; T125-A129 PolarHBondContact O-N 2.79Å
126M96.7Very high95.1Very high0 Ų038.5 Ų38.50%021%0.209CC..Hα-helixtrans-65.2-47.8177.4179.652.670.200111.4E23 I25 L37 V39 F105 A122 K123 R128 A129 L130E23-M126 HydrophobicContact CG-CE 4.47Å; I25-M126 HydrophobicContact CB-CE 4.34Å; I25-M126 HydrophobicContact CD1-CB 3.74Å; I25-M126 HydrophobicContact CD1-CG 4.15Å; I25-M126 HydrophobicContact CG1-CB 4.11Å; I25-M126 HydrophobicContact CG1-CE 3.72Å; I25-M126 HydrophobicContact CG1-CG 4.36Å; I25-M126 HydrophobicContact CG2-CB 4.08Å; I25-M126 HydrophobicContact CG2-CE 4.15Å; L37-M126 HydrophobicContact CB-CE 4.44Å; L37-M126 HydrophobicContact CD2-CE 4.32Å; L37-M126 HydrophobicContact CD2-CG 3.84Å; L37-M126 HydrophobicContact CD2-SD 4.34Å; L37-M126 HydrophobicContact CG-CE 4.03Å; L37-M126 HydrophobicContact CG-SD 4.47Å; L37-M126 WeakPolarHBondContact O-CE 3.49Å; V39-M126 HydrophobicContact CG2-CE 4.02Å; V39-M126 HydrophobicContact CG2-SD 3.36Å; V39-M126 WeakPolarHBondContact CG2-SD 3.18Å; F105-M126 HydrophobicContact CZ-CG 4.47Å; A122-M126 PolarHBondContact O-N 3.32Å; K123-M126 PolarHBondContact O-N 3.44Å; M126-R128 VanDerWaalsContact C-N 3.32Å; M126-R128 PolarHBondContact O-N 3.45Å; M126-A129 WeakPolarHBondContact O-CB 3.33Å; M126-A129 PolarHBondContact O-N 3.37Å; M126-L130 HydrophobicContact CG-CD1 4.37Å; M126-L130 WeakPolarHBondContact O-CG 3.29Å; M126-L130 PolarHBondContact O-N 2.98Å; M126-L130 HydrophobicContact SD-CG 4.32Å
127V96.9Very high94.8Very high0 Ų037.9 Ų37.90%020%0.204CC..Hα-helixtrans-62.1-40-179.5-178.80000111.3V93 K123 A129 L130 V131 L144 F147 I152V93-V127 HydrophobicContact CG1-CG2 4.18Å; K123-V127 WeakPolarHBondContact O-CG2 3.2Å; K123-V127 PolarHBondContact O-N 2.92Å; V127-A129 VanDerWaalsContact C-N 3.32Å; V127-A129 PolarHBondContact O-N 2.82Å; V127-L130 PolarHBondContact O-N 2.85Å; V127-L130 VanDerWaalsContact O-N 3.15Å; V127-V131 HydrophobicContact CG1-CG2 4.44Å; V127-V131 WeakPolarHBondContact O-CG2 3.49Å; V127-V131 PolarHBondContact O-N 3Å; V127-L144 HydrophobicContact CG1-CD1 4.25Å; V127-L144 HydrophobicContact CG1-CD2 3.72Å; V127-F147 HydrophobicContact CB-CE1 4.49Å; V127-F147 HydrophobicContact CG1-CE1 4.47Å; V127-F147 HydrophobicContact CG1-CE2 4.4Å; V127-F147 HydrophobicContact CG1-CZ 4.3Å; V127-F147 HydrophobicContact CG2-CE1 3.79Å; V127-F147 HydrophobicContact CG2-CE2 4.45Å; V127-F147 HydrophobicContact CG2-CZ 3.65Å; V127-I152 HydrophobicContact CB-CD1 3.79Å; V127-I152 HydrophobicContact CG1-CD1 3.6Å
128R96.1Very high94.4Very high90 Ų9038.6 Ų38.634%0.3421%0.208SC..Hα-helixtrans-57-44.1172-78.4-168-79.3118.24.2112.9Y124 T125 M126 L130 V131 A132 Y151 I152Y124-R128 WeakPolarHBondContact O-CB 3.19Å; Y124-R128 VanDerWaalsContact O-CG 3.28Å; Y124-R128 WeakPolarHBondContact O-CG 3.18Å; Y124-R128 PolarHBondContact O-N 2.92Å; T125-R128 PolarHBondContact OG1-NH2 2.8Å; M126-R128 VanDerWaalsContact C-N 3.32Å; M126-R128 PolarHBondContact O-N 3.45Å; R128-L130 VanDerWaalsContact C-N 3.35Å; R128-V131 PolarHBondContact O-N 3.17Å; R128-A132 WeakPolarHBondContact O-CB 3.48Å; R128-A132 PolarHBondContact O-N 3.16Å; R128-Y151 VanDerWaalsContact CD-O 3.24Å; R128-Y151 WeakPolarHBondContact CD-O 3.35Å; R128-Y151 PolarHBondContact NE-O 2.75Å; R128-I152 WeakPolarHBondContact CD-O 3.11Å; R128-I152 HydrophobicContact CG-CD1 4.33Å; R128-I152 HydrophobicContact CG-CG2 4.49Å; R128-I152 VanDerWaalsContact CG-O 3.25Å; R128-I152 WeakPolarHBondContact CG-O 3.1Å
129A95.7Very high93.9Very high14 Ų1443.8 Ų43.812%0.11623%0.228CC..Hα-helixtrans-63.5-41.8176.600000111.4E23 T125 M126 V127 A132 L133E23-A129 HydrophobicContact CB-CB 3.71Å; E23-A129 HydrophobicContact CG-CB 4Å; T125-A129 PolarHBondContact O-N 2.79Å; M126-A129 WeakPolarHBondContact O-CB 3.33Å; M126-A129 PolarHBondContact O-N 3.37Å; V127-A129 VanDerWaalsContact C-N 3.32Å; V127-A129 PolarHBondContact O-N 2.82Å; A129-A132 PolarHBondContact O-N 2.89Å; A129-L133 WeakPolarHBondContact O-CB 3.43Å; A129-L133 WeakPolarHBondContact O-CD1 3.36Å; A129-L133 WeakPolarHBondContact O-CG 3.47Å; A129-L133 PolarHBondContact O-N 3.23Å
130L96.7Very high93.7Very high0 Ų043.6 Ų43.60%022%0.219CC..Hα-helixtrans-62.1-47177.2-65.9175.4000112.1V39 L49 L87 L90 V93 L107 M126 V127 R128 A132 L133 C134 L142V39-L130 HydrophobicContact CG1-CD2 4.24Å; V39-L130 HydrophobicContact CG2-CD2 3.71Å; L49-L130 HydrophobicContact CD1-CD2 4.32Å; L49-L130 HydrophobicContact CD2-CD1 4.3Å; L49-L130 HydrophobicContact CD2-CD2 3.67Å; L49-L130 HydrophobicContact CG-CD2 4.04Å; L87-L130 HydrophobicContact CD1-CD2 3.93Å; L90-L130 HydrophobicContact CD2-CD1 4.3Å; V93-L130 HydrophobicContact CG2-CD1 4.45Å; L107-L130 HydrophobicContact CD2-CD1 4.27Å; M126-L130 HydrophobicContact CG-CD1 4.37Å; M126-L130 WeakPolarHBondContact O-CG 3.29Å; M126-L130 PolarHBondContact O-N 2.98Å; M126-L130 HydrophobicContact SD-CG 4.32Å; V127-L130 PolarHBondContact O-N 2.85Å; V127-L130 VanDerWaalsContact O-N 3.15Å; R128-L130 VanDerWaalsContact C-N 3.35Å; L130-A132 PolarHBondContact O-N 2.94Å; L130-L133 PolarHBondContact O-N 2.86Å; L130-C134 WeakPolarHBondContact O-CB 3.29Å; L130-C134 PolarHBondContact O-N 3.08Å; L130-L142 HydrophobicContact CB-CD2 3.75Å
131V95.4Very high93.5Very high8 Ų847.8 Ų47.85%0.04825%0.246CC..Hα-helixtrans-57.3-50.4176.4171.20000111V127 R128 L133 C134 D135 L142 L144 I152 K153V127-V131 HydrophobicContact CG1-CG2 4.44Å; V127-V131 WeakPolarHBondContact O-CG2 3.49Å; V127-V131 PolarHBondContact O-N 3Å; R128-V131 PolarHBondContact O-N 3.17Å; V131-L133 PolarHBondContact O-N 3.16Å; V131-C134 PolarHBondContact O-N 3.02Å; V131-D135 WeakPolarHBondContact O-CB 3.09Å; V131-D135 PolarHBondContact O-N 3.03Å; V131-L142 HydrophobicContact CG2-CB 4.4Å; V131-L142 HydrophobicContact CG2-CD2 4.09Å; V131-L144 HydrophobicContact CG2-CD1 3.75Å; V131-L144 HydrophobicContact CG2-CD2 4.37Å; V131-L144 HydrophobicContact CG2-CG 4.42Å; V131-I152 HydrophobicContact CG2-CG2 3.86Å; V131-K153 HydrophobicContact CG1-CD 4.48Å; V131-K153 HydrophobicContact CG1-CG 4.42Å
132A93.6Very high93.6Very high58 Ų5844.5 Ų44.548%0.47922%0.222SC..Hα-helixtrans-61.5-33.7179.300000112.6R128 A129 L130 R136R128-A132 WeakPolarHBondContact O-CB 3.48Å; R128-A132 PolarHBondContact O-N 3.16Å; A129-A132 PolarHBondContact O-N 2.89Å; L130-A132 PolarHBondContact O-N 2.94Å; A132-R136 WeakPolarHBondContact O-CB 3.03Å; A132-R136 PolarHBondContact O-N 2.91Å; A132-R136 VanDerWaalsContact O-N 3.16Å
133L94.3Very high93.6Very high10 Ų1047.7 Ų47.75%0.05224%0.237CC..Hα-helixtrans-76.5-38.8177.5-70.5170000112.4V22 V39 V41 V47 L87 A129 L130 V131 R136 Y137V22-L133 HydrophobicContact CB-CD1 4.38Å; V22-L133 HydrophobicContact CG1-CD1 4.18Å; V22-L133 HydrophobicContact CG1-CD2 4.26Å; V22-L133 HydrophobicContact CG2-CD2 4.35Å; V39-L133 HydrophobicContact CB-CD1 4.14Å; V39-L133 HydrophobicContact CG1-CD1 3.32Å; V41-L133 HydrophobicContact CG2-CD2 3.94Å; V47-L133 HydrophobicContact CG1-CB 4.32Å; V47-L133 HydrophobicContact CG1-CD1 4Å; L87-L133 HydrophobicContact CD2-CB 3.78Å; A129-L133 WeakPolarHBondContact O-CB 3.43Å; A129-L133 WeakPolarHBondContact O-CD1 3.36Å; A129-L133 WeakPolarHBondContact O-CG 3.47Å; A129-L133 PolarHBondContact O-N 3.23Å; L130-L133 PolarHBondContact O-N 2.86Å; V131-L133 PolarHBondContact O-N 3.16Å; L133-R136 PolarHBondContact O-N 3.33Å; L133-Y137 HydrophobicContact CB-CD2 4.4Å; L133-Y137 HydrophobicContact CD2-CD2 3.66Å; L133-Y137 HydrophobicContact CD2-CE2 3.44Å; L133-Y137 VanDerWaalsContact CD2-CE2 3.44Å; L133-Y137 WeakPolarHBondContact O-CB 2.98Å; L133-Y137 WeakPolarHBondContact O-CD2 3.42Å; L133-Y137 PolarHBondContact O-N 3.48Å
134C93.8Very high93.7Very high0 Ų048.6 Ų48.60%024%0.242CC..Iπ-helixtrans-61.6-49.8173.1-79.20000111L130 V131 R136 C138 Q139 L142L130-C134 WeakPolarHBondContact O-CB 3.29Å; L130-C134 PolarHBondContact O-N 3.08Å; V131-C134 PolarHBondContact O-N 3.02Å; C134-R136 VanDerWaalsContact C-N 3.25Å; C134-R136 PolarHBondContact O-N 3.07Å; C134-C138 CarbonylContact O-C 3.5Å; C134-C138 WeakPolarHBondContact O-CA 3.15Å; C134-C138 WeakPolarHBondContact O-CB 3.48Å; C134-C138 PolarHBondContact O-N 3.48Å; C134-Q139 PolarHBondContact O-N 2.68Å; C134-Q139 VanDerWaalsContact O-N 3.1Å; C134-L142 HydrophobicContact CB-CB 4.03Å
135D91.6Very high93.7Very high70 Ų7051.1 Ų51.137%0.37426%0.255SS..Iπ-helixtrans-58.3-40.5178.3-72.4-9.7000110.5V131 K153V131-D135 WeakPolarHBondContact O-CB 3.09Å; V131-D135 PolarHBondContact O-N 3.03Å; D135-K153 IonicContact OD2-NZ 2.79Å; D135-K153 PolarHBondContact OD2-NZ 3.19Å
136R92.3Very high93.7Very high173 Ų17352.8 Ų52.865%0.65326%0.263SS*.Iπ-helixtrans-79.9-38.6-176.7-174.1172.2-174.51696.1115.2A132 L133 C134A132-R136 WeakPolarHBondContact O-CB 3.03Å; A132-R136 PolarHBondContact O-N 2.91Å; A132-R136 VanDerWaalsContact O-N 3.16Å; L133-R136 PolarHBondContact O-N 3.33Å; C134-R136 VanDerWaalsContact C-N 3.25Å; C134-R136 PolarHBondContact O-N 3.07Å
137Y92.3Very high93.6Very high46 Ų4653.3 Ų53.318%0.1827%0.265CS..Iπ-helixtrans-117.8-27.4-166.5-64.1-65.3000114.2V41 K45 V47 L133V41-Y137 HydrophobicContact CG1-CE1 4.36Å; V41-Y137 HydrophobicContact CG1-CE2 4.32Å; V41-Y137 HydrophobicContact CG2-CD2 4.44Å; V41-Y137 HydrophobicContact CG2-CE2 3.82Å; K45-Y137 HydrophobicContact CB-CD1 3.62Å; K45-Y137 HydrophobicContact CB-CE1 3.81Å; K45-Y137 HydrophobicContact CD-CD1 4.17Å; K45-Y137 HydrophobicContact CD-CE1 4.09Å; K45-Y137 HydrophobicContact CG-CD1 4.17Å; K45-Y137 HydrophobicContact CG-CE1 3.95Å; V47-Y137 HydrophobicContact CG2-CD2 3.51Å; V47-Y137 HydrophobicContact CG2-CE2 4.34Å; V47-Y137 HydrophobicContact CG2-CG 3.71Å; L133-Y137 HydrophobicContact CB-CD2 4.4Å; L133-Y137 HydrophobicContact CD2-CD2 3.66Å; L133-Y137 HydrophobicContact CD2-CE2 3.44Å; L133-Y137 VanDerWaalsContact CD2-CE2 3.44Å; L133-Y137 WeakPolarHBondContact O-CB 2.98Å; L133-Y137 WeakPolarHBondContact O-CD2 3.42Å; L133-Y137 PolarHBondContact O-N 3.48Å
138C87.3Confident93.3Very high15 Ų1556.4 Ų56.410%0.10128%0.282CS..Iπ-helixtrans-98.1-10.8177.5-59.70000112.5C134 R140C134-C138 CarbonylContact O-C 3.5Å; C134-C138 WeakPolarHBondContact O-CA 3.15Å; C134-C138 WeakPolarHBondContact O-CB 3.48Å; C134-C138 PolarHBondContact O-N 3.48Å; C138-R140 HydrophobicContact CB-CG 3.83Å; C138-R140 PolarHBondContact O-N 2.87Å
139Q86.9Confident92.9Very high182 Ų18257.9 Ų57.985%0.8529%0.291SS*.  trans5130.1-177.8-61.2-176.4-19.800113C134C134-Q139 PolarHBondContact O-N 2.68Å; C134-Q139 VanDerWaalsContact O-N 3.1Å
140R89.3Confident92.4Very high67 Ų6760.4 Ų60.425%0.25331%0.306SS..SBendtrans-137.3143.7178.771.6-178.3177.396.2-5.8109.6L87 H88 L90 C138L87-R140 PolarHBondContact O-NH2 3.01Å; H88-R140 PolarHBondContact O-NH2 3.11Å; L90-R140 PolarHBondContact O-NH1 2.81Å; L90-R140 PolarHBondContact O-NH2 3.28Å; C138-R140 HydrophobicContact CB-CG 3.83Å; C138-R140 PolarHBondContact O-N 2.87Å
141P90.6Very high91.9Very high105 Ų10567.3 Ų67.368%0.68233%0.333SS*.PPolyproline II helixtrans-65.2137.5171.328.5-33.4000109.5
142L94.5Very high91.5Very high16 Ų1667.2 Ų67.28%0.08433%0.332CS..PPolyproline II helixtrans-73.9127.2170.1-176.458.2000108.8L90 V93 L130 V131 C134 L144L90-L142 HydrophobicContact CD2-CD1 3.91Å; L90-L142 HydrophobicContact CD2-CD2 4.5Å; L90-L142 HydrophobicContact CG-CD1 4.09Å; V93-L142 HydrophobicContact CG2-CD1 4.2Å; V93-L142 HydrophobicContact CG2-CD2 3.91Å; V93-L142 HydrophobicContact CG2-CG 4.25Å; L130-L142 HydrophobicContact CB-CD2 3.75Å; V131-L142 HydrophobicContact CG2-CB 4.4Å; V131-L142 HydrophobicContact CG2-CD2 4.09Å; C134-L142 HydrophobicContact CB-CB 4.03Å; L142-L144 HydrophobicContact CD2-CD2 3.92Å; L142-L144 HydrophobicContact CG-CD2 3.95Å; L142-L144 PolarHBondContact O-N 3.11Å
143N95.9Very high90.9Very high81 Ų8169.5 Ų69.543%0.43333%0.331SS..PPolyproline II helixtrans-71.7121.4174.2-169.83000108.9T91 L92 V93T91-N143 WeakPolarHBondContact O-CB 3.25Å; L92-N143 HydrophobicContact CD1-CB 4.26Å; V93-N143 PolarHBondContact N-O 3.44Å
144L96.5Very high89.2Confident19 Ų1972.1 Ų72.110%0.09935%0.348CS..EExtended strand (participates in β ladder)trans-120.8132.5180-61.8-178.5000108.9V93 V127 V131 L142 F147 F149 I152V93-L144 HydrophobicContact CB-CD2 3.82Å; V93-L144 HydrophobicContact CG2-CD2 4.3Å; V93-L144 WeakPolarHBondContact O-CA 3.24Å; V127-L144 HydrophobicContact CG1-CD1 4.25Å; V127-L144 HydrophobicContact CG1-CD2 3.72Å; V131-L144 HydrophobicContact CG2-CD1 3.75Å; V131-L144 HydrophobicContact CG2-CD2 4.37Å; V131-L144 HydrophobicContact CG2-CG 4.42Å; L142-L144 HydrophobicContact CD2-CD2 3.92Å; L142-L144 HydrophobicContact CG-CD2 3.95Å; L142-L144 PolarHBondContact O-N 3.11Å; L144-F147 HydrophobicContact CB-CD2 4.13Å; L144-F147 HydrophobicContact CD2-CD2 4.36Å; L144-F147 HydrophobicContact CD2-CE2 4.38Å; L144-F149 HydrophobicContact CB-CE1 4.48Å; L144-F149 HydrophobicContact CB-CZ 4.34Å; L144-F149 HydrophobicContact CD1-CE1 4.37Å; L144-I152 HydrophobicContact CD1-CG2 3.74Å
145Q96.3Very high87.3Confident86 Ų8675.6 Ų75.640%0.40237%0.37SS..EExtended strand (participates in β ladder)trans-123.5148.8171.7-71.8179.44.700110L92 V93 D94 G95 F147L92-Q145 HydrophobicContact CD1-CB 3.94Å; L92-Q145 HydrophobicContact CD1-CG 3.56Å; V93-Q145 PolarHBondContact O-N 3.11Å; D94-Q145 WeakPolarHBondContact CA-O 3.28Å; D94-Q145 HydrophobicContact CB-CB 4.49Å; G95-Q145 PolarHBondContact N-O 3.08Å; Q145-F147 VanDerWaalsContact C-N 3.28Å; Q145-F147 WeakPolarHBondContact O-CD2 3.3Å; Q145-F147 WeakPolarHBondContact O-CE2 3.29Å; Q145-F147 PolarHBondContact O-N 2.96Å
146N95.5Very high85.3Confident69 Ų6978.3 Ų78.337%0.36939%0.389SS..SBendtrans55.740.1172.9-52.5-39.7000113.9D94 G95 R96D94-N146 WeakPolarHBondContact OD1-CB 3.41Å; D94-N146 PolarHBondContact OD1-ND2 2.73Å; G95-N146 CarbonylContact C-O 3.51Å; G95-N146 WeakPolarHBondContact CA-O 3.24Å; R96-N146 WeakPolarHBondContact O-CB 3.29Å; R96-N146 VanDerWaalsContact O-CG 3.31Å; R96-N146 PolarHBondContact O-ND2 3.41Å
147F93.8Very high83.3Confident10 Ų1079.3 Ų79.34%0.04439%0.394CS..  trans-120.8145.3170.9-74.5-77000110.5V93 F105 K123 Y124 V127 L144 Q145 F149 I152V93-F147 HydrophobicContact CB-CE2 4.25Å; V93-F147 HydrophobicContact CG1-CE2 3.76Å; V93-F147 HydrophobicContact CG1-CZ 3.85Å; F105-F147 HydrophobicContact CB-CZ 4.2Å; K123-F147 HydrophobicContact CD-CE1 4.12Å; K123-F147 HydrophobicContact CG-CE1 4.1Å; Y124-F147 HydrophobicContact CD1-CD1 4.4Å; Y124-F147 AromaticContact CE1-CD1 3.87Å; Y124-F147 HydrophobicContact CE1-CD1 3.87Å; V127-F147 HydrophobicContact CB-CE1 4.49Å; V127-F147 HydrophobicContact CG1-CE1 4.47Å; V127-F147 HydrophobicContact CG1-CE2 4.4Å; V127-F147 HydrophobicContact CG1-CZ 4.3Å; V127-F147 HydrophobicContact CG2-CE1 3.79Å; V127-F147 HydrophobicContact CG2-CE2 4.45Å; V127-F147 HydrophobicContact CG2-CZ 3.65Å; L144-F147 HydrophobicContact CB-CD2 4.13Å; L144-F147 HydrophobicContact CD2-CD2 4.36Å; L144-F147 HydrophobicContact CD2-CE2 4.38Å; Q145-F147 VanDerWaalsContact C-N 3.28Å; Q145-F147 WeakPolarHBondContact O-CD2 3.3Å; Q145-F147 WeakPolarHBondContact O-CE2 3.29Å; Q145-F147 PolarHBondContact O-N 2.96Å; F147-F149 PolarHBondContact O-N 3.41Å; F147-F149 VanDerWaalsContact O-N 3.16Å; F147-I152 HydrophobicContact CB-CG1 4.18Å; F147-I152 HydrophobicContact CD1-CD1 4.3Å
148D90.3Very high80.9Confident66 Ų6685.1 Ų85.135%0.35342%0.417SS..  trans-75.8103.4167.7-166.512.5000110.2P150 Y151D148-P150 WeakPolarHBondContact OD1-CD 3.27Å; D148-Y151 HydrophobicContact CB-CD2 3.86Å; D148-Y151 PolarHBondContact O-N 3.29Å; D148-Y151 WeakPolarHBondContact OD2-CD2 3.18Å; D148-Y151 WeakPolarHBondContact OD2-CE2 3.26Å
149F87.4Confident79Confident121 Ų12188.2 Ų88.253%0.53144%0.439SS..Hα-helixtrans-55.7-38.4-172.5-84.6-83.4000115.7L144 F147 Y151 I152 K153L144-F149 HydrophobicContact CB-CE1 4.48Å; L144-F149 HydrophobicContact CB-CZ 4.34Å; L144-F149 HydrophobicContact CD1-CE1 4.37Å; F147-F149 PolarHBondContact O-N 3.41Å; F147-F149 VanDerWaalsContact O-N 3.16Å; F149-Y151 PolarHBondContact O-N 3.4Å; F149-I152 PolarHBondContact O-N 2.76Å; F149-K153 PolarHBondContact O-N 3.17Å
150P85.9Confident77.3Confident66 Ų6683.8 Ų83.843%0.42942%0.421SS..Hα-helixtrans-57.1-29.4174.4-23.736.1000113.7D148 I152D148-P150 WeakPolarHBondContact OD1-CD 3.27Å; P150-I152 VanDerWaalsContact C-N 3.34Å
151Y85.6Confident75.6Confident145 Ų14589.9 Ų89.957%0.56944%0.444SS*.Hα-helixtrans-80.2-15.6175-72.5-86.3000113.5R128 D148 F149R128-Y151 VanDerWaalsContact CD-O 3.24Å; R128-Y151 WeakPolarHBondContact CD-O 3.35Å; R128-Y151 PolarHBondContact NE-O 2.75Å; D148-Y151 HydrophobicContact CB-CD2 3.86Å; D148-Y151 PolarHBondContact O-N 3.29Å; D148-Y151 WeakPolarHBondContact OD2-CD2 3.18Å; D148-Y151 WeakPolarHBondContact OD2-CE2 3.26Å; F149-Y151 PolarHBondContact O-N 3.4Å
152I88Confident74Confident7 Ų787.1 Ų87.14%0.03644%0.435CS..Hα-helixtrans-97.2-56.3-179.8-60.5-63.4000111.6Y124 V127 R128 V131 L144 F147 F149 P150Y124-I152 HydrophobicContact CD1-CD1 3.5Å; Y124-I152 HydrophobicContact CD1-CG1 4.14Å; Y124-I152 HydrophobicContact CE1-CD1 4.1Å; Y124-I152 HydrophobicContact CE1-CG1 4.34Å; Y124-I152 HydrophobicContact CG-CD1 4.49Å; V127-I152 HydrophobicContact CB-CD1 3.79Å; V127-I152 HydrophobicContact CG1-CD1 3.6Å; R128-I152 WeakPolarHBondContact CD-O 3.11Å; R128-I152 HydrophobicContact CG-CD1 4.33Å; R128-I152 HydrophobicContact CG-CG2 4.49Å; R128-I152 VanDerWaalsContact CG-O 3.25Å; R128-I152 WeakPolarHBondContact CG-O 3.1Å; V131-I152 HydrophobicContact CG2-CG2 3.86Å; L144-I152 HydrophobicContact CD1-CG2 3.74Å; F147-I152 HydrophobicContact CB-CG1 4.18Å; F147-I152 HydrophobicContact CD1-CD1 4.3Å; F149-I152 PolarHBondContact O-N 2.76Å; P150-I152 VanDerWaalsContact C-N 3.34Å
153K80.6Confident72.3Confident106 Ų10690.8 Ų90.846%0.46145%0.454SS..SBendtrans-109.6102.9172.9-72.1-168175-166.50106.2V131 D135 F149 T155V131-K153 HydrophobicContact CG1-CD 4.48Å; V131-K153 HydrophobicContact CG1-CG 4.42Å; D135-K153 IonicContact OD2-NZ 2.79Å; D135-K153 PolarHBondContact OD2-NZ 3.19Å; F149-K153 PolarHBondContact O-N 3.17Å; K153-T155 PolarHBondContact O-N 2.78Å
154P58.9Low70.6Confident64 Ų6490.4 Ų90.442%0.41646%0.457SS..  trans-55.5120.8174-11.721.6000107.1
155T53.3Low69.1Low74 Ų7494 Ų9445%0.45448%0.48SS..  trans-57.1152.1163.153.40000107.1K153 Y157 Y158K153-T155 PolarHBondContact O-N 2.78Å; T155-Y157 PolarHBondContact O-N 2.87Å; T155-Y158 PolarHBondContact O-N 3.25Å
156T50.3Low67.9Low126 Ų12693.6 Ų93.677%0.77348%0.483SS*.THydrogen-bonded Turntrans-49.2-19.1-176.442.70000114.3
157Y49.1Very low66.9Low195 Ų19595.3 Ų95.377%0.76549%0.492SS*.THydrogen-bonded Turntrans-66.7-31.2172.4-76.5-85.8000115.7T155T155-Y157 PolarHBondContact O-N 2.87Å
158Y43.6Very low66.2Low168 Ų16898.4 Ų98.466%0.65951%0.514SS*.THydrogen-bonded Turntrans-112.2-1.4-174.6-70.5-79.9000114.3T155 N160T155-Y158 PolarHBondContact O-N 3.25Å; Y158-N160 PolarHBondContact O-N 3.42Å
159S45.8Very low65.6Low80 Ų80100.3 Ų100.356%0.55952%0.521SS*.SBendtrans-72-12.2-175.3-155.90000113.7
160N51.3Low65.4Low89 Ų8999.3 Ų99.348%0.47652%0.52SS..  trans-101.154.6178.1-82.9-15.2000112.2Y158 G162 D163 C164Y158-N160 PolarHBondContact O-N 3.42Å; N160-G162 PolarHBondContact O-N 3.38Å; N160-D163 HydrophobicContact CB-CB 3.93Å; N160-D163 WeakPolarHBondContact CB-OD2 3.44Å; N160-D163 PolarHBondContact ND2-OD2 3.21Å; N160-D163 PolarHBondContact O-N 3Å; N160-D163 VanDerWaalsContact O-N 3.09Å; N160-D163 PolarHBondContact OD1-OD2 3.09Å; N160-C164 PolarHBondContact O-N 3.44Å; N160-C164 PolarHBondContact O-SG 2.89Å
161R53.4Low65.2Low195 Ų19599.3 Ų99.374%0.73652%0.521SS*.Hα-helixtrans-57.2-30.3172.7-80.5-166.8178.3-167.9-0.5112.9V165R161-V165 WeakPolarHBondContact O-CG2 3.48Å; R161-V165 PolarHBondContact O-N 3.45Å
162G57.8Low65.1Low47 Ų4799.2 Ų99.249%0.48552%0.524SS..Hα-helixtrans-65.2-50.1172.600000111.4N160 V165 V166N160-G162 PolarHBondContact O-N 3.38Å; G162-V165 PolarHBondContact O-N 3.49Å; G162-V166 WeakPolarHBondContact O-CB 3.24Å; G162-V166 VanDerWaalsContact O-CG2 3.26Å; G162-V166 WeakPolarHBondContact O-CG2 3.34Å; G162-V166 PolarHBondContact O-N 3.45Å
163D59.1Low64.8Low93 Ų93105.7 Ų105.750%0.49755%0.549SS..Hα-helixtrans-72.9-32.1-175.9-49.6-23.2000112.2N160 V165 V166 L167N160-D163 HydrophobicContact CB-CB 3.93Å; N160-D163 WeakPolarHBondContact CB-OD2 3.44Å; N160-D163 PolarHBondContact ND2-OD2 3.21Å; N160-D163 PolarHBondContact O-N 3Å; N160-D163 VanDerWaalsContact O-N 3.09Å; N160-D163 PolarHBondContact OD1-OD2 3.09Å; D163-V165 PolarHBondContact O-N 2.72Å; D163-V166 PolarHBondContact O-N 3.03Å; D163-L167 WeakPolarHBondContact O-CA 3.35Å; D163-L167 WeakPolarHBondContact O-CB 2.99Å; D163-L167 PolarHBondContact O-N 3.39Å
164C59.2Low65Low72 Ų72103 Ų10349%0.48655%0.547SS..Hα-helixtrans-66.5-36.8175.7-68.70000112.6N160 S168N160-C164 PolarHBondContact O-N 3.44Å; N160-C164 PolarHBondContact O-SG 2.89Å; C164-S168 VanDerWaalsContact O-CB 3.24Å; C164-S168 WeakPolarHBondContact O-CB 3.26Å; C164-S168 PolarHBondContact O-N 3.28Å
165V66.6Low66.1Low96 Ų96103.7 Ų103.758%0.58255%0.552SS**Hα-helixtrans-71.7-44176.1173.90000110.2R161 G162 D163 L167 S168 Q169R161-V165 WeakPolarHBondContact O-CG2 3.48Å; R161-V165 PolarHBondContact O-N 3.45Å; G162-V165 PolarHBondContact O-N 3.49Å; D163-V165 PolarHBondContact O-N 2.72Å; V165-L167 VanDerWaalsContact C-N 3.35Å; V165-S168 PolarHBondContact O-N 2.85Å; V165-Q169 WeakPolarHBondContact O-CB 3.49Å; V165-Q169 PolarHBondContact O-N 2.91Å
166V70.9Confident67.4Low77 Ų77104 Ų10447%0.46755%0.551SS.*Hα-helixtrans-61.6-44.1175171.10000110.8G162 D163 Q169 I170G162-V166 WeakPolarHBondContact O-CB 3.24Å; G162-V166 VanDerWaalsContact O-CG2 3.26Å; G162-V166 WeakPolarHBondContact O-CG2 3.34Å; G162-V166 PolarHBondContact O-N 3.45Å; D163-V166 PolarHBondContact O-N 3.03Å; V166-Q169 PolarHBondContact O-N 2.87Å; V166-I170 HydrophobicContact CG1-CD1 3.68Å; V166-I170 HydrophobicContact CG1-CG1 4.39Å; V166-I170 WeakPolarHBondContact O-CB 3.49Å; V166-I170 WeakPolarHBondContact O-CG1 3.12Å; V166-I170 PolarHBondContact O-N 3.01Å
167L75Confident68.8Low105 Ų105103.6 Ų103.655%0.5554%0.543SS..Hα-helixtrans-64.2-45.5177.2-170.373.1000110.9D163 V165 Q169 I170 C171D163-L167 WeakPolarHBondContact O-CA 3.35Å; D163-L167 WeakPolarHBondContact O-CB 2.99Å; D163-L167 PolarHBondContact O-N 3.39Å; V165-L167 VanDerWaalsContact C-N 3.35Å; L167-Q169 VanDerWaalsContact C-N 3.27Å; L167-Q169 PolarHBondContact O-N 3.37Å; L167-I170 PolarHBondContact O-N 3.19Å; L167-C171 WeakPolarHBondContact O-CB 3.39Å; L167-C171 PolarHBondContact O-N 2.83Å; L167-C171 PolarHBondContact O-SG 3.35Å
168S78.9Confident70.4Confident74 Ų7498.5 Ų98.552%0.51753%0.532SS..Hα-helixtrans-59.4-39.7174.8-175.70000111.7C164 V165 F172C164-S168 VanDerWaalsContact O-CB 3.24Å; C164-S168 WeakPolarHBondContact O-CB 3.26Å; C164-S168 PolarHBondContact O-N 3.28Å; V165-S168 PolarHBondContact O-N 2.85Å; S168-F172 WeakPolarHBondContact O-CB 3.2Å; S168-F172 PolarHBondContact O-N 3.25Å
169Q77.3Confident71.9Confident107 Ų10794.3 Ų94.350%0.553%0.527SS..Hα-helixtrans-69.6-42.9178.6-168.8167.43.500111.3V165 V166 L167 F172 Y173V165-Q169 WeakPolarHBondContact O-CB 3.49Å; V165-Q169 PolarHBondContact O-N 2.91Å; V166-Q169 PolarHBondContact O-N 2.87Å; L167-Q169 VanDerWaalsContact C-N 3.27Å; L167-Q169 PolarHBondContact O-N 3.37Å; Q169-F172 PolarHBondContact O-N 3.27Å; Q169-Y173 HydrophobicContact CG-CD2 4.01Å; Q169-Y173 HydrophobicContact CG-CE2 3.67Å; Q169-Y173 WeakPolarHBondContact O-CD2 3.47Å; Q169-Y173 PolarHBondContact O-N 3.01Å
170I82.3Confident73.1Confident99 Ų9996.4 Ų96.451%0.50853%0.531SS..Hα-helixtrans-60.2-46173.5-69.2164.9000110.8V166 L167 F172 Y173 A174V166-I170 HydrophobicContact CG1-CD1 3.68Å; V166-I170 HydrophobicContact CG1-CG1 4.39Å; V166-I170 WeakPolarHBondContact O-CB 3.49Å; V166-I170 WeakPolarHBondContact O-CG1 3.12Å; V166-I170 PolarHBondContact O-N 3.01Å; L167-I170 PolarHBondContact O-N 3.19Å; I170-F172 VanDerWaalsContact C-N 3.31Å; I170-F172 PolarHBondContact O-N 3.3Å; I170-Y173 PolarHBondContact O-N 2.94Å; I170-A174 WeakPolarHBondContact O-CB 3.45Å; I170-A174 PolarHBondContact O-N 3.35Å
171C82.4Confident74.1Confident66 Ų6696.4 Ų96.445%0.44654%0.538SS..Hα-helixtrans-60.6-41.2177-69.80000111.6L167 A174 C175L167-C171 WeakPolarHBondContact O-CB 3.39Å; L167-C171 PolarHBondContact O-N 2.83Å; L167-C171 PolarHBondContact O-SG 3.35Å; C171-A174 PolarHBondContact O-N 2.89Å; C171-C175 PolarHBondContact O-N 3.27Å; C171-C175 PolarHBondContact O-SG 3.42Å
172F82.8Confident74.9Confident144 Ų14494.3 Ų94.363%0.63254%0.538SS*.Hα-helixtrans-63.7-43.1177-134.2-86.9000112.1S168 Q169 I170 C175 N176S168-F172 WeakPolarHBondContact O-CB 3.2Å; S168-F172 PolarHBondContact O-N 3.25Å; Q169-F172 PolarHBondContact O-N 3.27Å; I170-F172 VanDerWaalsContact C-N 3.31Å; I170-F172 PolarHBondContact O-N 3.3Å; F172-C175 PolarHBondContact O-N 3.48Å; F172-N176 VanDerWaalsContact O-CG 3.3Å; F172-N176 PolarHBondContact O-N 3.01Å; F172-N176 PolarHBondContact O-ND2 3.45Å
173Y82Confident75.5Confident143 Ų14395.9 Ų95.956%0.56154%0.541SS*.Hα-helixtrans-64-42175-80.7-66.2000112.4Q169 I170 N176 L177Q169-Y173 HydrophobicContact CG-CD2 4.01Å; Q169-Y173 HydrophobicContact CG-CE2 3.67Å; Q169-Y173 WeakPolarHBondContact O-CD2 3.47Å; Q169-Y173 PolarHBondContact O-N 3.01Å; I170-Y173 PolarHBondContact O-N 2.94Å; Y173-N176 PolarHBondContact O-N 3.27Å; Y173-L177 WeakPolarHBondContact O-CG 3.38Å; Y173-L177 PolarHBondContact O-N 3.32Å
174A84.6Confident75.9Confident50 Ų5097.1 Ų97.141%0.41355%0.554SS.*Hα-helixtrans-62.9-44.9177.200000111.7I170 C171 N176 L177 V178I170-A174 WeakPolarHBondContact O-CB 3.45Å; I170-A174 PolarHBondContact O-N 3.35Å; C171-A174 PolarHBondContact O-N 2.89Å; A174-N176 VanDerWaalsContact C-N 3.34Å; A174-N176 PolarHBondContact O-N 3.02Å; A174-L177 PolarHBondContact O-N 3.35Å; A174-V178 WeakPolarHBondContact O-CG2 3.42Å; A174-V178 PolarHBondContact O-N 3.43Å
175C83.4Confident76.2Confident78 Ų7899.5 Ų99.553%0.52757%0.566SS.*Hα-helixtrans-59.5-44174.8-71.10000111.8C171 F172 L177 V178 C179C171-C175 PolarHBondContact O-N 3.27Å; C171-C175 PolarHBondContact O-SG 3.42Å; F172-C175 PolarHBondContact O-N 3.48Å; C175-L177 VanDerWaalsContact C-N 3.35Å; C175-L177 PolarHBondContact O-N 3.04Å; C175-V178 PolarHBondContact O-N 3.14Å; C175-C179 PolarHBondContact O-N 2.96Å; C175-C179 PolarHBondContact O-SG 3.25Å
176N80.3Confident76.1Confident79 Ų79100 Ų10042%0.42257%0.571SS.*Hα-helixtrans-62-40.2177.4-74.3-23.2000112.6F172 Y173 A174 C179 L180F172-N176 VanDerWaalsContact O-CG 3.3Å; F172-N176 PolarHBondContact O-N 3.01Å; F172-N176 PolarHBondContact O-ND2 3.45Å; Y173-N176 PolarHBondContact O-N 3.27Å; A174-N176 VanDerWaalsContact C-N 3.34Å; A174-N176 PolarHBondContact O-N 3.02Å; N176-C179 PolarHBondContact O-N 3.33Å; N176-L180 WeakPolarHBondContact O-CG 3.36Å; N176-L180 PolarHBondContact O-N 3Å
177L79.9Confident75.6Confident118 Ų118104.2 Ų104.262%0.61859%0.59SS**Hα-helixtrans-66.4-40176.5-74166.9000112.2Y173 A174 C175 L180 S181Y173-L177 WeakPolarHBondContact O-CG 3.38Å; Y173-L177 PolarHBondContact O-N 3.32Å; A174-L177 PolarHBondContact O-N 3.35Å; C175-L177 VanDerWaalsContact C-N 3.35Å; C175-L177 PolarHBondContact O-N 3.04Å; L177-L180 PolarHBondContact O-N 3.39Å; L177-S181 PolarHBondContact O-N 2.93Å
178V82Confident75Confident88 Ų88106.9 Ų106.953%0.53361%0.605SS.*Hα-helixtrans-62.9-45.3174.1172.60000110.4A174 C175 L180 S181 M182A174-V178 WeakPolarHBondContact O-CG2 3.42Å; A174-V178 PolarHBondContact O-N 3.43Å; C175-V178 PolarHBondContact O-N 3.14Å; V178-L180 VanDerWaalsContact C-N 3.31Å; V178-L180 PolarHBondContact O-N 2.7Å; V178-S181 WeakPolarHBondContact CA-OG 3.5Å; V178-S181 PolarHBondContact O-N 3.15Å; V178-S181 VanDerWaalsContact O-N 3.15Å; V178-S181 PolarHBondContact O-OG 3.38Å; V178-M182 WeakPolarHBondContact O-CG 3.33Å; V178-M182 PolarHBondContact O-N 3.29Å; V178-M182 VanDerWaalsContact O-N 3.14Å
179C74.3Confident73.7Confident81 Ų81111.6 Ų111.655%0.54765%0.648SS.*Hα-helixtrans-59.2-41.3176-68.40000112.3C175 N176 M182 C183C175-C179 PolarHBondContact O-N 2.96Å; C175-C179 PolarHBondContact O-SG 3.25Å; N176-C179 PolarHBondContact O-N 3.33Å; C179-M182 PolarHBondContact O-N 3.32Å; C179-C183 PolarHBondContact O-N 3.4Å; C179-C183 PolarHBondContact O-SG 3.22Å; C179-C183 VanDerWaalsContact O-SG 3.4Å
180L72.2Confident73.5Confident123 Ų123111.8 Ų111.864%0.64466%0.656SS**Hα-helixtrans-67-34.9176.1-72.5167.1000112.7N176 L177 V178 M182 C183N176-L180 WeakPolarHBondContact O-CG 3.36Å; N176-L180 PolarHBondContact O-N 3Å; L177-L180 PolarHBondContact O-N 3.39Å; V178-L180 VanDerWaalsContact C-N 3.31Å; V178-L180 PolarHBondContact O-N 2.7Å; L180-M182 VanDerWaalsContact C-N 3.26Å; L180-M182 PolarHBondContact O-N 3.4Å; L180-C183 PolarHBondContact O-N 3.42Å
181S71.7Confident73.1Confident89 Ų89112.5 Ų112.562%0.62266%0.664SS**Hα-helixtrans-71.2-20.717773.40000114L177 V178L177-S181 PolarHBondContact O-N 2.93Å; V178-S181 WeakPolarHBondContact CA-OG 3.5Å; V178-S181 PolarHBondContact O-N 3.15Å; V178-S181 VanDerWaalsContact O-N 3.15Å; V178-S181 PolarHBondContact O-OG 3.38Å
182M71.2Confident72.6Confident151 Ų151115.1 Ų115.174%0.74468%0.676SS**THydrogen-bonded Turntrans-96.71.5179.4-65.2-67.6-76.200112.5V178 C179 L180 P184V178-M182 WeakPolarHBondContact O-CG 3.33Å; V178-M182 PolarHBondContact O-N 3.29Å; V178-M182 VanDerWaalsContact O-N 3.14Å; C179-M182 PolarHBondContact O-N 3.32Å; L180-M182 VanDerWaalsContact C-N 3.26Å; L180-M182 PolarHBondContact O-N 3.4Å; M182-P184 WeakPolarHBondContact O-CD 3.44Å
183C68.8Low72Confident80 Ų80113.4 Ų113.454%0.54168%0.678SS.*SBendtrans-76.3119.7170.4-70.90000109.1C179 L180 V185C179-C183 PolarHBondContact O-N 3.4Å; C179-C183 PolarHBondContact O-SG 3.22Å; C179-C183 VanDerWaalsContact O-SG 3.4Å; L180-C183 PolarHBondContact O-N 3.42Å; C183-V185 PolarHBondContact O-N 3.42Å
184P69Low71.3Confident120 Ų120111.5 Ų111.578%0.77969%0.686SS**PPolyproline II helixtrans-62.3124.8175.124.8-31.2000109.1M182M182-P184 WeakPolarHBondContact O-CD 3.44Å
185V65.8Low70.5Confident121 Ų121115.6 Ų115.673%0.73370%0.704SS**PPolyproline II helixtrans-61.9125.3171.8178.10000107.3C183 L187C183-V185 PolarHBondContact O-N 3.42Å; V185-L187 PolarHBondContact O-N 3.17Å
186P63.5Low69.5Low106 Ų106118.3 Ų118.369%0.68872%0.717SS**  trans-59.9114.4170.6-15.428.3000107.6D188P186-D188 PolarHBondContact O-N 3.03Å; P186-D188 VanDerWaalsContact O-N 3.17Å
187L60.6Low68.7Low167 Ų167121.3 Ų121.387%0.87474%0.739SS**  trans-73.8103.1165.8-70.8169.9000105.6V185 A189V185-L187 PolarHBondContact O-N 3.17Å; L187-A189 PolarHBondContact O-N 3.29Å
188D61.7Low67.8Low160 Ų160121.6 Ų121.686%0.85675%0.749SS**  trans-55.5125.7170.3-74.2-37.1000108.6P186P186-D188 PolarHBondContact O-N 3.03Å; P186-D188 VanDerWaalsContact O-N 3.17Å
189A52.6Low66.5Low173 Ų173124.6 Ų124.6100%1.4377%0.769SS**  trans-77.7017800000112L187L187-A189 PolarHBondContact O-N 3.29Å

Retrieved 189 of 189 residues in 83.8 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).