A0A087XU54_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase

Ubiquitin-protein hydrolase is involved both in the processing of ubiquitin precursors and of ubiquitinated proteins. This enzyme is a thiol protease that recognizes and hydrolyzes a peptide bond at the C-terminal glycine of ubiquitin.

AlphaFold DB , UniProt , Accession A0A087XU54, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 225 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
1L44.9Very low76Confident218 Ų21888 Ų88100%1.14146%0.462SS*.  0128.20-74.1157.8000106N3L1-N3 PolarHBondContact O-N 3.03Å
2L50.6Low77.2Confident176 Ų17683.2 Ų83.292%0.92144%0.437SS*.PPolyproline II helixtrans-65.6119.1173.5-79154000107.1M4L2-M4 PolarHBondContact O-N 3.21Å
3N60.8Low78.6Confident148 Ų14877.9 Ų77.979%0.79141%0.411SS*.PPolyproline II helixtrans-61.5129.6172.3-74.60.3000107.9L1L1-N3 PolarHBondContact O-N 3.03Å
4M79.5Confident79.7Confident46 Ų4680.3 Ų80.323%0.22742%0.418CS..PPolyproline II helixtrans-70.4135.4176.5-59.6-166.4-69.900109.6L2 E134 N136 K137 C140L2-M4 PolarHBondContact O-N 3.21Å; M4-E134 WeakPolarHBondContact CE-O 3.46Å; M4-N136 VanDerWaalsContact CE-C 3.42Å; M4-N136 WeakPolarHBondContact CE-O 3.37Å; M4-K137 VanDerWaalsContact SD-CA 3.58Å; M4-K137 HydrophobicContact SD-CB 4.14Å; M4-K137 HydrophobicContact SD-CG 3.57Å; M4-K137 VanDerWaalsContact SD-CG 3.57Å; M4-C140 HydrophobicContact CE-CB 3.62Å; M4-C140 HydrophobicContact SD-CB 3.87Å
5E86.7Confident80.7Confident168 Ų16875.3 Ų75.379%0.78539%0.392SS*.PPolyproline II helixtrans-86.4128.7177.6-168.2175.9-178.200110.2N144E5-N144 PolarHBondContact O-ND2 2.92Å
6W90.2Very high81.6Confident11 Ų1170.6 Ų70.64%0.04237%0.368CS..PPolyproline II helixtrans-102.9124.6177.5-66.371.4000109A86 S87 N88 T92 L133 I139 C140 H143W6-A86 VanDerWaalsContact CD1-CB 3.45Å; W6-A86 HydrophobicContact CG-CB 4.16Å; W6-S87 WeakPolarHBondContact CB-O 3.14Å; W6-N88 HydrophobicContact CB-CB 4.22Å; W6-N88 WeakPolarHBondContact O-CB 3.34Å; W6-N88 PolarHBondContact O-ND2 3.24Å; W6-T92 HydrophobicContact CH2-CG2 4.26Å; W6-T92 HydrophobicContact CZ3-CG2 3.93Å; W6-L133 HydrophobicContact CH2-CD1 4.44Å; W6-L133 HydrophobicContact CH2-CG 4.39Å; W6-L133 HydrophobicContact CZ2-CG 4.44Å; W6-I139 HydrophobicContact CH2-CG2 4.07Å; W6-C140 HydrophobicContact CH2-CB 4.42Å; W6-C140 HydrophobicContact CZ2-CB 4.12Å; W6-H143 HydrophobicContact CE3-CB 4Å; W6-H143 AromaticContact CE3-CD2 3.61Å; W6-H143 AromaticContact CE3-CE1 3.83Å; W6-H143 AromaticContact CE3-CG 3.5Å; W6-H143 AromaticContact CE3-ND1 3.64Å; W6-H143 AromaticContact CE3-NE2 3.81Å; W6-H143 HydrophobicContact CZ3-CB 3.82Å; W6-H143 AromaticContact CZ3-CG 3.74Å; W6-H143 AromaticContact CZ3-ND1 3.82Å
7T88.8Confident82.5Confident53 Ų5368.8 Ų68.833%0.32536%0.359SS..PPolyproline II helixtrans-79.9139.1-175.4-53.60000110.1M9 H143 N144 A147T7-M9 PolarHBondContact O-N 3Å; T7-H143 PolarHBondContact O-NE2 2.86Å; T7-N144 VanDerWaalsContact CB-OD1 3.26Å; T7-N144 WeakPolarHBondContact CB-OD1 3.41Å; T7-N144 PolarHBondContact N-OD1 2.94Å; T7-N144 PolarHBondContact OG1-OD1 3.33Å; T7-A147 HydrophobicContact CG2-CB 3.92Å
8A86.1Confident83.3Confident40 Ų4068.2 Ų68.233%0.33135%0.353SS..PPolyproline II helixtrans-58.5129.2171.800000110.1
9M83.9Confident84Confident19 Ų1964.7 Ų64.79%0.09434%0.335CS..  trans-124.1136.6-176.5178.9174.95800110T7 I11 M15 I19 V146 A147T7-M9 PolarHBondContact O-N 3Å; M9-I11 HydrophobicContact CE-CG1 3.85Å; M9-I11 PolarHBondContact O-N 2.69Å; M9-M15 HydrophobicContact SD-CB 4.25Å; M9-I19 HydrophobicContact CE-CD1 3.34Å; M9-I19 HydrophobicContact SD-CD1 3.49Å; M9-I19 WeakPolarHBondContact SD-CD1 3.43Å; M9-I19 HydrophobicContact SD-CG1 4.46Å; M9-V146 HydrophobicContact SD-CB 4.3Å; M9-V146 HydrophobicContact SD-CG1 3.94Å; M9-A147 HydrophobicContact CB-CB 3.75Å; M9-A147 HydrophobicContact CG-CB 4.12Å; M9-A147 HydrophobicContact SD-CB 4.5Å
10E83Confident84.6Confident70 Ų7062 Ų6233%0.32732%0.32SS..  trans-67.8121.1164.7-174.8-169.3158.100108.8N12 M15 Q151 C152E10-N12 PolarHBondContact OE1-ND2 3.49Å; E10-M15 WeakPolarHBondContact O-CB 3.39Å; E10-M15 WeakPolarHBondContact O-CG 3.45Å; E10-Q151 PolarHBondContact OE2-N 3.03Å; E10-C152 HydrophobicContact CB-CB 4.15Å
11I81.5Confident85.2Confident19 Ų1962.4 Ų62.410%0.09733%0.329CS..  trans-105.9104.3-177.9-62.5157.1000108.7M9 L16 G91 F165M9-I11 HydrophobicContact CE-CG1 3.85Å; M9-I11 PolarHBondContact O-N 2.69Å; I11-L16 HydrophobicContact CG2-CD1 3.8Å; I11-L16 HydrophobicContact CG2-CD2 3.78Å; I11-L16 HydrophobicContact CG2-CG 3.78Å; I11-G91 VanDerWaalsContact CD1-CA 3.41Å; I11-F165 HydrophobicContact CB-CD2 4.17Å; I11-F165 HydrophobicContact CB-CE1 4.18Å; I11-F165 HydrophobicContact CB-CE2 3.28Å; I11-F165 HydrophobicContact CB-CZ 3.26Å; I11-F165 HydrophobicContact CD1-CD2 3.21Å; I11-F165 HydrophobicContact CD1-CE2 3.2Å; I11-F165 HydrophobicContact CD1-CG 4.04Å; I11-F165 HydrophobicContact CD1-CZ 4.01Å; I11-F165 HydrophobicContact CG1-CD2 4.27Å; I11-F165 HydrophobicContact CG1-CE2 3.8Å; I11-F165 HydrophobicContact CG1-CZ 4.22Å; I11-F165 HydrophobicContact CG2-CD1 4.21Å; I11-F165 HydrophobicContact CG2-CD2 4.26Å; I11-F165 HydrophobicContact CG2-CE1 3.46Å; I11-F165 VanDerWaalsContact CG2-CE1 3.46Å; I11-F165 HydrophobicContact CG2-CE2 3.54Å; I11-F165 HydrophobicContact CG2-CZ 3.05Å
12N90.6Very high87.7Confident30 Ų3055.8 Ų55.816%0.1629%0.291CS..SBendtrans-133.8172.4174.565.735.6000108.5E10 E14 M15 L16E10-N12 PolarHBondContact OE1-ND2 3.49Å; N12-E14 VanDerWaalsContact C-N 3.25Å; N12-E14 PolarHBondContact O-N 2.83Å; N12-E14 WeakPolarHBondContact OD1-CA 3.5Å; N12-E14 WeakPolarHBondContact OD1-CB 3.24Å; N12-E14 PolarHBondContact OD1-N 3.32Å; N12-M15 PolarHBondContact O-N 2.95Å; N12-M15 PolarHBondContact OD1-N 2.64Å; N12-L16 WeakPolarHBondContact O-CG 3.45Å; N12-L16 PolarHBondContact O-N 3.36Å
13P94.9Very high90Very high15 Ų1547.5 Ų47.510%0.09725%0.248CC..Hα-helixtrans-55.8-36.3179-30.137.8000114.4N17 F31 D33 V220P13-N17 WeakPolarHBondContact O-CB 3.38Å; P13-N17 PolarHBondContact O-N 3.33Å; P13-N17 PolarHBondContact O-ND2 3.45Å; P13-F31 HydrophobicContact CB-CB 4.22Å; P13-D33 VanDerWaalsContact CD-OD1 3.23Å; P13-D33 WeakPolarHBondContact CD-OD1 3.47Å; P13-D33 HydrophobicContact CG-CB 4.39Å; P13-D33 VanDerWaalsContact CG-CG 3.47Å; P13-D33 VanDerWaalsContact CG-OD1 3.27Å; P13-D33 WeakPolarHBondContact CG-OD1 3.43Å; P13-V220 HydrophobicContact CG-CG1 3.73Å
14E94.6Very high91.7Very high111 Ų11140.7 Ų40.752%0.51921%0.213SC..Hα-helixtrans-62.4-51.5179.6-168.8-168.2153.800111N12 N17 K18N12-E14 VanDerWaalsContact C-N 3.25Å; N12-E14 PolarHBondContact O-N 2.83Å; N12-E14 WeakPolarHBondContact OD1-CA 3.5Å; N12-E14 WeakPolarHBondContact OD1-CB 3.24Å; N12-E14 PolarHBondContact OD1-N 3.32Å; E14-N17 PolarHBondContact O-N 3.26Å; E14-K18 WeakPolarHBondContact O-CG 3.42Å; E14-K18 PolarHBondContact O-N 2.77Å; E14-K18 WeakPolarHBondContact OE1-CE 3.39Å; E14-K18 IonicContact OE1-NZ 3.64Å; E14-K18 PolarHBondContact OE1-NZ 3.47Å
15M94.1Very high92.5Very high5 Ų538.9 Ų38.93%0.02520%0.204CC..Hα-helixtrans-65.5-41.2-179.5-61.9-54.8111.300111.7M9 E10 N12 K18 I19 V146M9-M15 HydrophobicContact SD-CB 4.25Å; E10-M15 WeakPolarHBondContact O-CB 3.39Å; E10-M15 WeakPolarHBondContact O-CG 3.45Å; N12-M15 PolarHBondContact O-N 2.95Å; N12-M15 PolarHBondContact OD1-N 2.64Å; M15-K18 HydrophobicContact CE-CD 4.12Å; M15-K18 PolarHBondContact O-N 3.1Å; M15-K18 HydrophobicContact SD-CD 4.46Å; M15-I19 PolarHBondContact O-N 3.42Å; M15-V146 HydrophobicContact CB-CG1 3.93Å; M15-V146 HydrophobicContact CG-CG1 4.29Å; M15-V146 HydrophobicContact SD-CG1 3.58Å; M15-V146 VanDerWaalsContact SD-CG1 3.58Å
16L96.1Very high92.6Very high1 Ų132.6 Ų32.61%0.00518%0.179CC..Hα-helixtrans-63.6-42.7176.9-70.8169.7000112.1I11 N12 I19 M20 F31 M53 L95 V220I11-L16 HydrophobicContact CG2-CD1 3.8Å; I11-L16 HydrophobicContact CG2-CD2 3.78Å; I11-L16 HydrophobicContact CG2-CG 3.78Å; N12-L16 WeakPolarHBondContact O-CG 3.45Å; N12-L16 PolarHBondContact O-N 3.36Å; L16-I19 PolarHBondContact O-N 3.13Å; L16-M20 VanDerWaalsContact O-CB 3.24Å; L16-M20 WeakPolarHBondContact O-CB 3.45Å; L16-M20 PolarHBondContact O-N 2.78Å; L16-F31 HydrophobicContact CB-CB 4.16Å; L16-F31 HydrophobicContact CB-CD2 3.56Å; L16-F31 HydrophobicContact CB-CE2 4.09Å; L16-F31 HydrophobicContact CB-CG 3.88Å; L16-F31 HydrophobicContact CD1-CB 4.34Å; L16-F31 HydrophobicContact CD1-CD1 4.02Å; L16-F31 HydrophobicContact CD1-CD2 4.34Å; L16-F31 HydrophobicContact CD1-CE1 4.41Å; L16-F31 HydrophobicContact CD1-CG 3.96Å; L16-F31 HydrophobicContact CG-CD2 4.5Å; L16-M53 HydrophobicContact CD1-CE 4.12Å; L16-M53 HydrophobicContact CD1-SD 4.4Å; L16-M53 HydrophobicContact CD2-CE 3.84Å; L16-M53 HydrophobicContact CD2-SD 4.5Å; L16-L95 HydrophobicContact CD2-CB 4.34Å; L16-L95 HydrophobicContact CD2-CD1 3.89Å; L16-V220 HydrophobicContact CD1-CG2 3.63Å
17N96.9Very high92.3Very high40 Ų4034.3 Ų34.321%0.21420%0.2CC..Hα-helixtrans-66.5-38.5176.7-72.3-36.7000111.8P13 E14 M20 S21 R30 F31P13-N17 WeakPolarHBondContact O-CB 3.38Å; P13-N17 PolarHBondContact O-N 3.33Å; P13-N17 PolarHBondContact O-ND2 3.45Å; E14-N17 PolarHBondContact O-N 3.26Å; N17-M20 PolarHBondContact O-N 3.16Å; N17-S21 WeakPolarHBondContact O-CB 3.33Å; N17-S21 PolarHBondContact O-N 3.23Å; N17-R30 WeakPolarHBondContact OD1-CA 3.46Å; N17-F31 PolarHBondContact ND2-O 2.85Å; N17-F31 PolarHBondContact OD1-N 3.31Å
18K96.3Very high92.4Very high58 Ų5837.8 Ų37.825%0.25221%0.212SC..Hα-helixtrans-62.3-47.6173.7-76.9178.6-177.6177.40112E14 M15 S21 K22 V146 E149E14-K18 WeakPolarHBondContact O-CG 3.42Å; E14-K18 PolarHBondContact O-N 2.77Å; E14-K18 WeakPolarHBondContact OE1-CE 3.39Å; E14-K18 IonicContact OE1-NZ 3.64Å; E14-K18 PolarHBondContact OE1-NZ 3.47Å; M15-K18 HydrophobicContact CE-CD 4.12Å; M15-K18 PolarHBondContact O-N 3.1Å; M15-K18 HydrophobicContact SD-CD 4.46Å; K18-S21 PolarHBondContact O-N 2.91Å; K18-K22 WeakPolarHBondContact O-CB 3.36Å; K18-K22 WeakPolarHBondContact O-CG 3.42Å; K18-K22 PolarHBondContact O-N 2.88Å; K18-V146 HydrophobicContact CB-CG1 4.12Å; K18-V146 HydrophobicContact CB-CG2 4.07Å; K18-E149 WeakPolarHBondContact CD-OE2 3.46Å; K18-E149 WeakPolarHBondContact CE-OE2 2.86Å; K18-E149 IonicContact NZ-OE2 3.64Å; K18-E149 PolarHBondContact NZ-OE2 2.63Å
19I96.1Very high92.9Very high1 Ų137.2 Ų37.21%0.00520%0.201CC..Hα-helixtrans-59.2-50.7175.5-73.8178000110.1M9 M15 L16 S21 K22 L23 L95 V146M9-I19 HydrophobicContact CE-CD1 3.34Å; M9-I19 HydrophobicContact SD-CD1 3.49Å; M9-I19 WeakPolarHBondContact SD-CD1 3.43Å; M9-I19 HydrophobicContact SD-CG1 4.46Å; M15-I19 PolarHBondContact O-N 3.42Å; L16-I19 PolarHBondContact O-N 3.13Å; I19-S21 VanDerWaalsContact C-N 3.31Å; I19-S21 PolarHBondContact O-N 3.35Å; I19-K22 PolarHBondContact O-N 2.88Å; I19-L23 HydrophobicContact CG2-CD1 3.55Å; I19-L23 HydrophobicContact CG2-CG 4.05Å; I19-L23 VanDerWaalsContact O-CB 3.31Å; I19-L23 WeakPolarHBondContact O-CB 3.3Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.45Å; I19-L23 PolarHBondContact O-N 3.3Å; I19-L95 HydrophobicContact CB-CD1 4.12Å; I19-L95 HydrophobicContact CG2-CD1 3.74Å; I19-L95 HydrophobicContact CG2-CD2 4.21Å; I19-V146 HydrophobicContact CD1-CB 4.39Å; I19-V146 HydrophobicContact CD1-CG1 4.43Å; I19-V146 HydrophobicContact CG1-CB 3.83Å; I19-V146 HydrophobicContact CG1-CG1 3.96Å; I19-V146 HydrophobicContact CG1-CG2 3.75Å
20M96.6Very high93.5Very high10 Ų1041.9 Ų41.95%0.04922%0.218CC..Hα-helixtrans-56.2-46.6-178.1-178.117275.900111.3L16 N17 L23 G24 V25 W29 F31 L95 I99 L222L16-M20 VanDerWaalsContact O-CB 3.24Å; L16-M20 WeakPolarHBondContact O-CB 3.45Å; L16-M20 PolarHBondContact O-N 2.78Å; N17-M20 PolarHBondContact O-N 3.16Å; M20-L23 PolarHBondContact O-N 2.98Å; M20-G24 PolarHBondContact O-N 2.91Å; M20-V25 HydrophobicContact CG-CB 3.47Å; M20-V25 VanDerWaalsContact CG-CB 3.47Å; M20-V25 HydrophobicContact CG-CG1 3.7Å; M20-V25 HydrophobicContact CG-CG2 3.97Å; M20-V25 WeakPolarHBondContact O-CB 3.32Å; M20-V25 PolarHBondContact O-N 3.41Å; M20-V25 HydrophobicContact SD-CB 4.49Å; M20-V25 HydrophobicContact SD-CG1 4.08Å; M20-W29 WeakPolarHBondContact CE-O 3.45Å; M20-F31 HydrophobicContact SD-CE2 4.24Å; M20-L95 HydrophobicContact CB-CD1 4.38Å; M20-I99 HydrophobicContact CG-CD1 4.05Å; M20-I99 HydrophobicContact SD-CD1 4.22Å; M20-L222 HydrophobicContact CE-CD1 4.49Å; M20-L222 HydrophobicContact SD-CD1 4.12Å
21S96.9Very high94.2Very high72 Ų7238.6 Ų38.650%0.50320%0.202SC..Hα-helixtrans-64.3-48.4176.1176.80000112.7N17 K18 I19 L23 G24N17-S21 WeakPolarHBondContact O-CB 3.33Å; N17-S21 PolarHBondContact O-N 3.23Å; K18-S21 PolarHBondContact O-N 2.91Å; I19-S21 VanDerWaalsContact C-N 3.31Å; I19-S21 PolarHBondContact O-N 3.35Å; S21-L23 PolarHBondContact O-N 2.81Å; S21-G24 WeakPolarHBondContact O-CA 3.42Å; S21-G24 PolarHBondContact O-N 2.88Å
22K97.4Very high95Very high79 Ų7938.3 Ų38.334%0.34320%0.202SC..Hα-helixtrans-63.5-27.6178.5-77.5175.3170.2-75.30113.3K18 I19 G24 V142 E145 V146K18-K22 WeakPolarHBondContact O-CB 3.36Å; K18-K22 WeakPolarHBondContact O-CG 3.42Å; K18-K22 PolarHBondContact O-N 2.88Å; I19-K22 PolarHBondContact O-N 2.88Å; K22-G24 PolarHBondContact O-N 3.32Å; K22-V142 HydrophobicContact CB-CG1 3.52Å; K22-V142 HydrophobicContact CB-CG2 4.2Å; K22-V142 HydrophobicContact CD-CG1 4.19Å; K22-E145 IonicContact NZ-OE1 3.17Å; K22-E145 PolarHBondContact NZ-OE1 3.38Å; K22-E145 IonicContact NZ-OE2 3.23Å; K22-E145 PolarHBondContact NZ-OE2 3.32Å; K22-V146 HydrophobicContact CD-CG2 3.7Å
23L98.1Very high95.3Very high1 Ų141 Ų411%0.00522%0.216CC..THydrogen-bonded Turntrans-79.10.8172.7-70.5-177.7000113.4I19 M20 S21 L95 S112 V113 L114 I139 V142I19-L23 HydrophobicContact CG2-CD1 3.55Å; I19-L23 HydrophobicContact CG2-CG 4.05Å; I19-L23 VanDerWaalsContact O-CB 3.31Å; I19-L23 WeakPolarHBondContact O-CB 3.3Å; I19-L23 VanDerWaalsContact O-CG 3.24Å; I19-L23 WeakPolarHBondContact O-CG 3.45Å; I19-L23 PolarHBondContact O-N 3.3Å; M20-L23 PolarHBondContact O-N 2.98Å; S21-L23 PolarHBondContact O-N 2.81Å; L23-L95 HydrophobicContact CD1-CD2 4.18Å; L23-S112 PolarHBondContact O-OG 3.48Å; L23-V113 HydrophobicContact CD2-CB 4.33Å; L23-V113 HydrophobicContact CD2-CG1 4.21Å; L23-V113 PolarHBondContact O-N 3.35Å; L23-L114 HydrophobicContact CB-CB 3.91Å; L23-L114 HydrophobicContact CD1-CB 4.43Å; L23-L114 HydrophobicContact CD1-CD2 4.4Å; L23-L114 PolarHBondContact O-N 3.05Å; L23-L114 VanDerWaalsContact O-N 3.13Å; L23-I139 HydrophobicContact CD2-CB 4.41Å; L23-I139 HydrophobicContact CD2-CG1 3.97Å; L23-I139 HydrophobicContact CD2-CG2 4.47Å; L23-V142 HydrophobicContact CD2-CB 4.04Å; L23-V142 HydrophobicContact CD2-CG1 4Å; L23-V142 HydrophobicContact CD2-CG2 4.19Å; L23-V142 HydrophobicContact CG-CG1 4.04Å
24G97.6Very high95.3Very high6 Ų640.9 Ų40.96%0.06221%0.214CC..THydrogen-bonded Turntrans81.124.3175.300000113.9M20 S21 K22 F108 E109 S112M20-G24 PolarHBondContact O-N 2.91Å; S21-G24 WeakPolarHBondContact O-CA 3.42Å; S21-G24 PolarHBondContact O-N 2.88Å; K22-G24 PolarHBondContact O-N 3.32Å; G24-F108 WeakPolarHBondContact O-CA 3.44Å; G24-E109 PolarHBondContact O-N 3.19Å; G24-S112 WeakPolarHBondContact O-CB 3.48Å; G24-S112 PolarHBondContact O-OG 2.92Å
25V96.6Very high95.4Very high7 Ų742.4 Ų42.44%0.04223%0.225CC..EExtended strand (participates in β ladder)trans-87.2127.3166.8-175.70000107.9M20 I99 M106 F108 L114M20-V25 HydrophobicContact CG-CB 3.47Å; M20-V25 VanDerWaalsContact CG-CB 3.47Å; M20-V25 HydrophobicContact CG-CG1 3.7Å; M20-V25 HydrophobicContact CG-CG2 3.97Å; M20-V25 WeakPolarHBondContact O-CB 3.32Å; M20-V25 PolarHBondContact O-N 3.41Å; M20-V25 HydrophobicContact SD-CB 4.49Å; M20-V25 HydrophobicContact SD-CG1 4.08Å; V25-I99 HydrophobicContact CG2-CD1 4.2Å; V25-M106 HydrophobicContact CG1-SD 4.33Å; V25-F108 HydrophobicContact CG2-CD1 3.97Å; V25-F108 HydrophobicContact CG2-CE1 3.79Å; V25-L114 HydrophobicContact CG2-CD2 3.72Å
26S89Confident95.4Very high36 Ų3642.7 Ų42.725%0.25223%0.23SC..EExtended strand (participates in β ladder)trans-128.9179-176.963.50000111.3T107 E109S26-T107 PolarHBondContact N-O 3.19Å; S26-T107 WeakPolarHBondContact O-CB 3.42Å; S26-E109 WeakPolarHBondContact OG-CG 3.44Å
27G83.4Confident95.4Very high47 Ų4743.3 Ų43.349%0.48523%0.233SC..SBendtrans97.6-151.1178.400000112.8
28H89.8Confident95.2Very high126 Ų12647.2 Ų47.258%0.58325%0.25SC*.SBendtrans-102.532.6-164.5-58-70.1000112.6Q224 S225H28-Q224 HydrophobicContact CB-CG 4.14Å; H28-Q224 CarbonylContact O-C 3.58Å; H28-Q224 WeakPolarHBondContact O-CA 3.21Å; H28-Q224 VanDerWaalsContact O-CG 3.26Å; H28-Q224 WeakPolarHBondContact O-CG 3.46Å; H28-S225 VanDerWaalsContact C-OG 3.28Å; H28-S225 VanDerWaalsContact CA-OG 3.29Å; H28-S225 WeakPolarHBondContact CA-OG 3.3Å; H28-S225 PolarHBondContact O-N 3.06Å; H28-S225 PolarHBondContact O-OG 3.26Å
29W96.7Very high95.2Very high29 Ų2947 Ų4711%0.1126%0.264CS..EExtended strand (participates in β ladder)trans-116.2137.3174.4-68.891.9000109.6M20 P48 C50 K105 M106 L222 C223 Q224M20-W29 WeakPolarHBondContact CE-O 3.45Å; W29-P48 HydrophobicContact CH2-CB 4.3Å; W29-P48 HydrophobicContact CH2-CG 4.08Å; W29-P48 WeakPolarHBondContact CZ3-O 3.47Å; W29-C50 VanDerWaalsContact CE3-SG 3.59Å; W29-C50 HydrophobicContact CH2-CB 3.84Å; W29-C50 HydrophobicContact CZ3-CB 3.76Å; W29-C50 WeakPolarHBondContact CZ3-SG 3.33Å; W29-K105 HydrophobicContact CH2-CD 4.45Å; W29-K105 HydrophobicContact CZ2-CB 4.03Å; W29-K105 HydrophobicContact CZ2-CD 4.23Å; W29-K105 PolarHBondContact NE1-O 3.4Å; W29-M106 HydrophobicContact CB-CE 4.2Å; W29-M106 HydrophobicContact CB-SD 4.44Å; W29-M106 HydrophobicContact CD2-CE 3.72Å; W29-M106 HydrophobicContact CE3-CE 4.36Å; W29-M106 HydrophobicContact CG-CE 3.61Å; W29-M106 HydrophobicContact CG-SD 4.33Å; W29-L222 HydrophobicContact CB-CD1 3.98Å; W29-L222 HydrophobicContact CB-CG 4.46Å; W29-L222 HydrophobicContact CE3-CG 4.14Å; W29-C223 CarbonylContact C-O 3.58Å; W29-C223 WeakPolarHBondContact CA-O 3.14Å; W29-Q224 HydrophobicContact CD2-CB 4.25Å; W29-Q224 HydrophobicContact CE3-CB 4.18Å; W29-Q224 VanDerWaalsContact CE3-N 3.28Å; W29-Q224 HydrophobicContact CH2-CB 4.09Å; W29-Q224 HydrophobicContact CZ2-CB 4.18Å; W29-Q224 HydrophobicContact CZ2-CG 4.47Å; W29-Q224 HydrophobicContact CZ3-CB 4.09Å
30R97.2Very high95Very high117 Ų11755.3 Ų55.344%0.44230%0.303SS..EExtended strand (participates in β ladder)trans-148.2148.2176.668.6-174.3-178.196.91.5111.4N17 V32 C223N17-R30 WeakPolarHBondContact OD1-CA 3.46Å; R30-V32 HydrophobicContact CG-CG1 4.14Å; R30-C223 PolarHBondContact N-O 3.09Å; R30-C223 PolarHBondContact O-N 3.11Å
31F97.8Very high94.9Very high0 Ų060.3 Ų60.30%033%0.326CS..EExtended strand (participates in β ladder)trans-70140.6166.4-72.3-81000110.4P13 L16 N17 M20 M53 L95 A98 V220 A221 L222P13-F31 HydrophobicContact CB-CB 4.22Å; L16-F31 HydrophobicContact CB-CB 4.16Å; L16-F31 HydrophobicContact CB-CD2 3.56Å; L16-F31 HydrophobicContact CB-CE2 4.09Å; L16-F31 HydrophobicContact CB-CG 3.88Å; L16-F31 HydrophobicContact CD1-CB 4.34Å; L16-F31 HydrophobicContact CD1-CD1 4.02Å; L16-F31 HydrophobicContact CD1-CD2 4.34Å; L16-F31 HydrophobicContact CD1-CE1 4.41Å; L16-F31 HydrophobicContact CD1-CG 3.96Å; L16-F31 HydrophobicContact CG-CD2 4.5Å; N17-F31 PolarHBondContact ND2-O 2.85Å; N17-F31 PolarHBondContact OD1-N 3.31Å; M20-F31 HydrophobicContact SD-CE2 4.24Å; F31-M53 HydrophobicContact CD1-SD 4.4Å; F31-M53 HydrophobicContact CE1-CG 4.28Å; F31-M53 HydrophobicContact CE1-SD 3.43Å; F31-M53 WeakPolarHBondContact CE1-SD 3.39Å; F31-M53 HydrophobicContact CZ-SD 3.65Å; F31-L95 HydrophobicContact CE2-CD1 4.29Å; F31-A98 HydrophobicContact CZ-CB 4.42Å; F31-V220 HydrophobicContact CD1-CB 4.28Å; F31-V220 HydrophobicContact CD1-CG2 3.77Å; F31-V220 HydrophobicContact CE1-CG2 4.31Å; F31-A221 CarbonylContact C-O 3.58Å; F31-A221 VanDerWaalsContact CA-O 3.24Å; F31-A221 WeakPolarHBondContact CA-O 3.28Å; F31-L222 HydrophobicContact CD1-CB 4.15Å; F31-L222 HydrophobicContact CD2-CD1 4.05Å; F31-L222 HydrophobicContact CE1-CB 3.79Å; F31-L222 HydrophobicContact CE1-CD1 4.45Å; F31-L222 HydrophobicContact CE2-CD1 3.95Å; F31-L222 HydrophobicContact CG-CD1 4.36Å; F31-L222 HydrophobicContact CZ-CB 4.11Å; F31-L222 HydrophobicContact CZ-CD1 4.17Å; F31-L222 HydrophobicContact CZ-CD2 4.35Å; F31-L222 HydrophobicContact CZ-CG 4.44Å
32V97.5Very high94.9Very high14 Ų1457.4 Ų57.49%0.08531%0.305CS..EExtended strand (participates in β ladder)trans-137.1152.6173.5-57.70000109.6R30 P46 V220 A221 C223R30-V32 HydrophobicContact CG-CG1 4.14Å; V32-P46 HydrophobicContact CG2-CG 4.37Å; V32-V220 CarbonylContact O-C 3.59Å; V32-V220 WeakPolarHBondContact O-CA 3.18Å; V32-V220 WeakPolarHBondContact O-CB 3.17Å; V32-A221 HydrophobicContact CG2-CB 4.2Å; V32-A221 PolarHBondContact N-O 3.37Å; V32-A221 PolarHBondContact O-N 2.8Å; V32-C223 HydrophobicContact CG2-CB 4.37Å
33D97.1Very high94.7Very high85 Ų8558.4 Ų58.446%0.45532%0.318SS..EExtended strand (participates in β ladder)trans-67.4143.3175.1-69.9-58.4000111.8P13 L35P13-D33 VanDerWaalsContact CD-OD1 3.23Å; P13-D33 WeakPolarHBondContact CD-OD1 3.47Å; P13-D33 HydrophobicContact CG-CB 4.39Å; P13-D33 VanDerWaalsContact CG-CG 3.47Å; P13-D33 VanDerWaalsContact CG-OD1 3.27Å; P13-D33 WeakPolarHBondContact CG-OD1 3.43Å; D33-L35 HydrophobicContact CB-CD2 4.14Å
34I96.5Very high94.5Very high13 Ų1362.2 Ų62.27%0.06735%0.35CS..  trans-102.9104.6165.4-55.3179.2000107.1G36 L37 L42 V45 L52 A219 A221I34-G36 WeakPolarHBondContact CG2-O 3.46Å; I34-G36 PolarHBondContact O-N 3.46Å; I34-L37 HydrophobicContact CG2-CD2 4.15Å; I34-L42 HydrophobicContact CG2-CD1 3.88Å; I34-V45 HydrophobicContact CB-CG2 4.42Å; I34-V45 HydrophobicContact CG1-CG2 4Å; I34-V45 HydrophobicContact CG2-CG2 4.1Å; I34-L52 HydrophobicContact CD1-CD1 3.42Å; I34-L52 VanDerWaalsContact CD1-CD1 3.42Å; I34-L52 HydrophobicContact CD1-CG 3.64Å; I34-A219 HydrophobicContact CB-CB 4.04Å; I34-A219 HydrophobicContact CD1-CB 4.16Å; I34-A219 HydrophobicContact CG1-CB 4.48Å; I34-A219 PolarHBondContact N-O 2.92Å; I34-A221 HydrophobicContact CD1-CB 3.86Å; I34-A221 HydrophobicContact CG1-CB 3.92Å
35L95.3Very high94.4Very high143 Ų14362.4 Ų62.475%0.74935%0.349SS*.SBendtrans-72.5-16.8-175.1-57.7-178.1000113.5D33D33-L35 HydrophobicContact CB-CD2 4.14Å
36G94.9Very high94.4Very high11 Ų1164.5 Ų64.511%0.11336%0.363CS..  trans-165.2147.9176.200000111.9I34 E38 Q41 L42I34-G36 WeakPolarHBondContact CG2-O 3.46Å; I34-G36 PolarHBondContact O-N 3.46Å; G36-E38 VanDerWaalsContact C-N 3.28Å; G36-E38 PolarHBondContact O-N 3.03Å; G36-Q41 VanDerWaalsContact CA-OE1 3.31Å; G36-L42 PolarHBondContact O-N 3.33Å
37L95.1Very high94.6Very high14 Ų1469.6 Ų69.67%0.07338%0.381CS..SBendtrans-89.813.6-176.1-63.4177.1000113.3I34 A201 C204 R205 M208 A219I34-L37 HydrophobicContact CG2-CD2 4.15Å; L37-A201 HydrophobicContact CB-CB 4.19Å; L37-A201 HydrophobicContact CD2-CB 4.05Å; L37-C204 HydrophobicContact CD1-CB 3.64Å; L37-C204 HydrophobicContact CD2-CB 4.22Å; L37-R205 HydrophobicContact CB-CG 3.71Å; L37-R205 HydrophobicContact CD1-CG 3.94Å; L37-R205 PolarHBondContact O-NH1 3.37Å; L37-M208 HydrophobicContact CD1-SD 3.37Å; L37-M208 WeakPolarHBondContact CD1-SD 3.43Å; L37-A219 HydrophobicContact CD2-CB 4.06Å
38E94.1Very high95.2Very high122 Ų12270.5 Ų70.557%0.5738%0.378SS*.SBendtrans-156.7173.2177.263.3-172.8171.400113G36 L42G36-E38 VanDerWaalsContact C-N 3.28Å; G36-E38 PolarHBondContact O-N 3.03Å; E38-L42 PolarHBondContact O-N 3Å
39G94.6Very high95.5Very high53 Ų5365 Ų6555%0.54635%0.353SS..Hα-helixtrans58.9-144.8173.400000114.6Q41 L42 T43G39-Q41 VanDerWaalsContact C-N 3.32Å; G39-Q41 PolarHBondContact O-N 3.24Å; G39-L42 PolarHBondContact O-N 3.14Å; G39-T43 PolarHBondContact O-N 2.82Å; G39-T43 PolarHBondContact O-OG1 3Å
40E93.7Very high95.6Very high176 Ų17663.8 Ų63.882%0.82235%0.349SS*.Hα-helixtrans-65.4-35.4-178-65.7-173.5167.400112.4L42 T43 A44E40-L42 VanDerWaalsContact C-N 3.34Å; E40-L42 PolarHBondContact O-N 2.79Å; E40-T43 PolarHBondContact O-N 3.44Å; E40-T43 VanDerWaalsContact O-N 3.15Å; E40-A44 PolarHBondContact O-N 2.82Å
41Q94.3Very high95.6Very high115 Ų11558.2 Ų58.254%0.53733%0.328SS..Hα-helixtrans-62.1-41.6-179.7-67.8176.9-25.200111.8G36 G39G36-Q41 VanDerWaalsContact CA-OE1 3.31Å; G39-Q41 VanDerWaalsContact C-N 3.32Å; G39-Q41 PolarHBondContact O-N 3.24Å
42L95.7Very high95.6Very high11 Ų1158.2 Ų58.26%0.05833%0.328CS..Hα-helixtrans-72.6-34.4175.3-169.865.8000112.2I34 G36 E38 G39 E40 A44 V45 V197 T198 A201I34-L42 HydrophobicContact CG2-CD1 3.88Å; G36-L42 PolarHBondContact O-N 3.33Å; E38-L42 PolarHBondContact O-N 3Å; G39-L42 PolarHBondContact O-N 3.14Å; E40-L42 VanDerWaalsContact C-N 3.34Å; E40-L42 PolarHBondContact O-N 2.79Å; L42-A44 PolarHBondContact O-N 3.21Å; L42-V45 HydrophobicContact CD1-CG2 4.38Å; L42-V45 WeakPolarHBondContact O-CB 3.23Å; L42-V45 WeakPolarHBondContact O-CG2 3.42Å; L42-V45 PolarHBondContact O-N 3.49Å; L42-V197 HydrophobicContact CD1-CG1 3.66Å; L42-V197 HydrophobicContact CG-CG1 4.24Å; L42-T198 HydrophobicContact CD2-CG2 4.41Å; L42-A201 HydrophobicContact CD1-CB 3.83Å; L42-A201 HydrophobicContact CD2-CB 3.59Å; L42-A201 HydrophobicContact CG-CB 4.38Å
43T93.4Very high95.7Very high101 Ų10157.5 Ų57.562%0.6232%0.324SS*.Hα-helixtrans-68.9-26.4-179.9-550000112G39 E40 V45G39-T43 PolarHBondContact O-N 2.82Å; G39-T43 PolarHBondContact O-OG1 3Å; E40-T43 PolarHBondContact O-N 3.44Å; E40-T43 VanDerWaalsContact O-N 3.15Å; T43-V45 PolarHBondContact O-N 2.93Å
44A94.2Very high95.6Very high81 Ų8153.5 Ų53.567%0.66930%0.303SS*.THydrogen-bonded Turntrans-73.4-10.4176.300000114.2E40 L42 P46E40-A44 PolarHBondContact O-N 2.82Å; L42-A44 PolarHBondContact O-N 3.21Å; A44-P46 WeakPolarHBondContact O-CD 3.07Å
45V96.1Very high95.5Very high9 Ų954.1 Ų54.16%0.05531%0.306CS..SBendtrans-61.5125.1175.7177.50000109.4I34 L42 T43 V197 A221I34-V45 HydrophobicContact CB-CG2 4.42Å; I34-V45 HydrophobicContact CG1-CG2 4Å; I34-V45 HydrophobicContact CG2-CG2 4.1Å; L42-V45 HydrophobicContact CD1-CG2 4.38Å; L42-V45 WeakPolarHBondContact O-CB 3.23Å; L42-V45 WeakPolarHBondContact O-CG2 3.42Å; L42-V45 PolarHBondContact O-N 3.49Å; T43-V45 PolarHBondContact O-N 2.93Å; V45-V197 HydrophobicContact CB-CG1 4.5Å; V45-V197 HydrophobicContact CG1-CG1 4.39Å; V45-A221 HydrophobicContact CG1-CB 3.66Å
46P96.1Very high95.3Very high52 Ų5247.6 Ų47.634%0.33827%0.272SS..  trans-55.6143180-23.932.3000112.9V32 A44 C223V32-P46 HydrophobicContact CG2-CG 4.37Å; A44-P46 WeakPolarHBondContact O-CD 3.07Å; P46-C223 HydrophobicContact CB-CB 3.92Å; P46-C223 PolarHBondContact O-SG 2.89Å
47K94.1Very high95Very high143 Ų14347.4 Ų47.462%0.62227%0.268SS*.SBendtrans-120.2148.3-179.5-61.5-176.7-174.4-176.60110.5
48P95.5Very high94.6Very high66 Ų6647.4 Ų47.443%0.42927%0.268SS..SBendcis-69.7152.7-4.528.9-35.8000112.8W29 C223 Q224W29-P48 HydrophobicContact CH2-CB 4.3Å; W29-P48 HydrophobicContact CH2-CG 4.08Å; W29-P48 WeakPolarHBondContact CZ3-O 3.47Å; P48-C223 WeakPolarHBondContact O-CA 3.49Å; P48-Q224 HydrophobicContact CG-CB 3.81Å; P48-Q224 PolarHBondContact O-N 2.87Å
49S96.5Very high94.2Very high9 Ų943.1 Ų43.16%0.06325%0.251CS..EExtended strand (participates in β ladder)trans-125.7136.7173.91770000109.2V197 L222S49-V197 WeakPolarHBondContact OG-CG2 3.46Å; S49-L222 WeakPolarHBondContact CA-O 3.22Å; S49-L222 PolarHBondContact OG-O 3.45Å
50C97.1Very high93.8Very high4 Ų447.4 Ų47.43%0.02726%0.256CS..EExtended strand (participates in β ladder)trans-122.2-10.2-169.470.20000114.6W29 N102 K105 L222W29-C50 VanDerWaalsContact CE3-SG 3.59Å; W29-C50 HydrophobicContact CH2-CB 3.84Å; W29-C50 HydrophobicContact CZ3-CB 3.76Å; W29-C50 WeakPolarHBondContact CZ3-SG 3.33Å; C50-N102 HydrophobicContact CB-CB 4.48Å; C50-N102 WeakPolarHBondContact CB-OD1 3.24Å; C50-N102 PolarHBondContact O-ND2 3.45Å; C50-K105 HydrophobicContact CB-CD 3.96Å; C50-L222 PolarHBondContact N-O 3.32Å
51A98.4Very high93.4Very high0 Ų043.7 Ų43.70%024%0.239CC..EExtended strand (participates in β ladder)trans-149.5151.7171.300000110.5A98 F168 V169 A221 L222A51-A98 HydrophobicContact CB-CB 3.55Å; A51-F168 WeakPolarHBondContact CA-O 3.34Å; A51-V169 HydrophobicContact CB-CG2 4.14Å; A51-A221 CarbonylContact O-C 3.37Å; A51-A221 WeakPolarHBondContact O-CA 3.43Å; A51-L222 HydrophobicContact CB-CB 3.98Å; A51-L222 PolarHBondContact O-N 2.94Å
52L98.5Very high93Very high0 Ų038.5 Ų38.50%022%0.215CC..EExtended strand (participates in β ladder)trans-125.8131.2169.5-178157.8000107.3I34 A167 F168 F196 A200 C204 V220I34-L52 HydrophobicContact CD1-CD1 3.42Å; I34-L52 VanDerWaalsContact CD1-CD1 3.42Å; I34-L52 HydrophobicContact CD1-CG 3.64Å; L52-A167 CarbonylContact O-C 3.59Å; L52-F168 HydrophobicContact CB-CB 4.39Å; L52-F168 HydrophobicContact CD2-CD2 3.76Å; L52-F168 HydrophobicContact CD2-CE2 4.34Å; L52-F168 PolarHBondContact N-O 2.69Å; L52-F168 PolarHBondContact O-N 3.07Å; L52-F196 HydrophobicContact CB-CE1 4.5Å; L52-F196 HydrophobicContact CB-CZ 4.29Å; L52-A200 HydrophobicContact CB-CB 4.21Å; L52-A200 HydrophobicContact CD1-CB 4.03Å; L52-C204 WeakPolarHBondContact CD2-SG 3.47Å; L52-V220 CarbonylContact C-O 3.5Å; L52-V220 WeakPolarHBondContact CA-O 3.32Å
53M98.1Very high92.5Very high0 Ų042.2 Ų42.20%023%0.232CC..EExtended strand (participates in β ladder)trans-112.4138.3173.2-67.2170.251.500109.6L16 F31 A94 F165 I166 A167 A219 V220L16-M53 HydrophobicContact CD1-CE 4.12Å; L16-M53 HydrophobicContact CD1-SD 4.4Å; L16-M53 HydrophobicContact CD2-CE 3.84Å; L16-M53 HydrophobicContact CD2-SD 4.5Å; F31-M53 HydrophobicContact CD1-SD 4.4Å; F31-M53 HydrophobicContact CE1-CG 4.28Å; F31-M53 HydrophobicContact CE1-SD 3.43Å; F31-M53 WeakPolarHBondContact CE1-SD 3.39Å; F31-M53 HydrophobicContact CZ-SD 3.65Å; M53-A94 HydrophobicContact CE-CB 3.62Å; M53-A94 HydrophobicContact CG-CB 4.46Å; M53-A94 HydrophobicContact SD-CB 4.36Å; M53-F165 HydrophobicContact CB-CD1 4.3Å; M53-F165 HydrophobicContact CB-CE1 4.48Å; M53-F165 HydrophobicContact CE-CD1 3.77Å; M53-F165 HydrophobicContact CE-CE1 4.14Å; M53-I166 VanDerWaalsContact CA-O 3.29Å; M53-I166 WeakPolarHBondContact CA-O 3.5Å; M53-A167 HydrophobicContact CG-CB 4.11Å; M53-A219 VanDerWaalsContact O-CA 3.26Å; M53-A219 WeakPolarHBondContact O-CA 3.45Å; M53-V220 HydrophobicContact CB-CG2 3.74Å; M53-V220 PolarHBondContact N-O 3.4Å; M53-V220 PolarHBondContact O-N 3.47Å
54L96.4Very high92.2Very high0 Ų041.8 Ų41.80%022%0.223CC..EExtended strand (participates in β ladder)trans-118.2129179.5-178.871.1000109.6F56 F165 I166 F168 C204 F207 A219L54-F56 HydrophobicContact CD2-CD1 3.96Å; L54-F56 HydrophobicContact CG-CD1 4.05Å; L54-F165 WeakPolarHBondContact O-CA 3.29Å; L54-I166 HydrophobicContact CB-CG1 4.01Å; L54-I166 HydrophobicContact CD2-CD1 4.3Å; L54-I166 PolarHBondContact N-O 3.08Å; L54-I166 PolarHBondContact O-N 2.88Å; L54-I166 VanDerWaalsContact O-N 3.08Å; L54-F168 HydrophobicContact CB-CE2 4.1Å; L54-C204 HydrophobicContact CD1-CB 4.15Å; L54-C204 HydrophobicContact CD2-CB 3.99Å; L54-F207 HydrophobicContact CD2-CB 4.21Å; L54-F207 HydrophobicContact CD2-CD2 4.32Å; L54-F207 HydrophobicContact CD2-CG 4.18Å; L54-A219 HydrophobicContact CD1-CB 4.24Å
55L93.6Very high91.8Very high27 Ų2739.9 Ų39.914%0.14120%0.2CC..EExtended strand (participates in β ladder)trans-99.9130.5165.3-176.452.3000109.9F163 H164 F165 F217 S218L55-F163 HydrophobicContact CD1-CB 3.66Å; L55-F163 HydrophobicContact CD1-CD1 3.93Å; L55-F163 HydrophobicContact CD1-CG 4.12Å; L55-F163 HydrophobicContact CD2-CD1 4.43Å; L55-F163 HydrophobicContact CG-CD1 4.06Å; L55-H164 WeakPolarHBondContact CA-O 3.49Å; L55-H164 WeakPolarHBondContact CD1-O 3Å; L55-F165 HydrophobicContact CB-CD1 4.38Å; L55-F165 HydrophobicContact CB-CD2 4.27Å; L55-F165 HydrophobicContact CB-CE1 3.8Å; L55-F165 HydrophobicContact CB-CE2 3.64Å; L55-F165 HydrophobicContact CB-CZ 3.39Å; L55-F165 HydrophobicContact CD1-CD2 3.34Å; L55-F165 HydrophobicContact CD1-CE2 3.1Å; L55-F165 HydrophobicContact CD1-CG 4.23Å; L55-F165 HydrophobicContact CD1-CZ 3.87Å; L55-F165 HydrophobicContact CD2-CE2 3.61Å; L55-F165 HydrophobicContact CD2-CZ 3.79Å; L55-F165 HydrophobicContact CG-CD2 4.24Å; L55-F165 HydrophobicContact CG-CE2 3.57Å; L55-F165 HydrophobicContact CG-CZ 3.83Å; L55-F217 VanDerWaalsContact O-CA 3.24Å; L55-F217 WeakPolarHBondContact O-CA 3.41Å; L55-F217 WeakPolarHBondContact O-CB 3.4Å; L55-S218 PolarHBondContact N-O 2.89Å; L55-S218 PolarHBondContact O-N 3.38Å
56F91.3Very high91.3Very high6 Ų640.7 Ų40.73%0.02620%0.202CC..EExtended strand (participates in β ladder)trans-152.6156.1174.264-77.6000109.8L54 L58 H62 H164 I166 F207L54-F56 HydrophobicContact CD2-CD1 3.96Å; L54-F56 HydrophobicContact CG-CD1 4.05Å; F56-L58 HydrophobicContact CE2-CD1 4.03Å; F56-L58 HydrophobicContact CZ-CD1 4.49Å; F56-H62 AromaticContact CD2-CD2 3.71Å; F56-H62 AromaticContact CD2-NE2 3.7Å; F56-H62 HydrophobicContact CE2-CB 4.3Å; F56-H62 AromaticContact CE2-CD2 3.6Å; F56-H62 AromaticContact CE2-CG 3.96Å; F56-H164 HydrophobicContact CZ-CB 4.47Å; F56-H164 AromaticContact CZ-CD2 3.97Å; F56-H164 PolarHBondContact N-O 3.22Å; F56-H164 VanDerWaalsContact N-O 3.13Å; F56-H164 PolarHBondContact O-N 3.43Å; F56-I166 HydrophobicContact CE1-CD1 3.75Å; F56-I166 HydrophobicContact CE1-CG1 3.93Å; F56-I166 HydrophobicContact CE1-CG2 3.99Å; F56-I166 HydrophobicContact CZ-CD1 4.41Å; F56-I166 HydrophobicContact CZ-CG2 4.4Å; F56-F207 HydrophobicContact CD2-CD1 4.36Å; F56-F207 HydrophobicContact CE1-CD1 4.27Å; F56-F207 HydrophobicContact CE1-CE1 4.37Å; F56-F207 AromaticContact CE2-CD1 3.98Å; F56-F207 HydrophobicContact CE2-CD1 3.98Å; F56-F207 HydrophobicContact CE2-CE1 4.33Å; F56-F207 AromaticContact CZ-CD1 3.93Å; F56-F207 HydrophobicContact CZ-CD1 3.93Å; F56-F207 AromaticContact CZ-CE1 3.93Å; F56-F207 HydrophobicContact CZ-CE1 3.93Å
57P88.6Confident90.6Very high6 Ų644.3 Ų44.34%0.03922%0.217CC..EExtended strand (participates in β ladder)trans-75.4133.6173.529.1-31.3000109.1T59 H62 V161 F163 E214 R216P57-T59 PolarHBondContact O-N 2.8Å; P57-T59 VanDerWaalsContact O-N 3.09Å; P57-H62 PolarHBondContact O-ND1 3.37Å; P57-V161 HydrophobicContact CB-CG1 3.7Å; P57-F163 HydrophobicContact CB-CD1 4.27Å; P57-F163 HydrophobicContact CB-CE1 4.21Å; P57-E214 HydrophobicContact CG-CG 3.38Å; P57-E214 WeakPolarHBondContact CG-OE2 3.31Å; P57-R216 WeakPolarHBondContact CD-O 3.43Å
58L85.8Confident90.1Very high14 Ų1443.7 Ų43.77%0.07322%0.216CC..  trans-82.989.4176.1-16570.5000108.8F56 H62 E63 N162 H164 K181F56-L58 HydrophobicContact CE2-CD1 4.03Å; F56-L58 HydrophobicContact CZ-CD1 4.49Å; L58-H62 HydrophobicContact CD1-CB 3.95Å; L58-E63 HydrophobicContact CD1-CG 4.25Å; L58-E63 HydrophobicContact CD2-CG 4.09Å; L58-E63 WeakPolarHBondContact CD2-OE1 3.31Å; L58-E63 HydrophobicContact CG-CG 3.85Å; L58-N162 WeakPolarHBondContact CB-O 3.2Å; L58-N162 PolarHBondContact N-O 2.6Å; L58-H164 HydrophobicContact CB-CB 4.2Å; L58-K181 HydrophobicContact CD2-CD 3.98Å
59T86.6Confident89.4Confident32 Ų3240.7 Ų40.720%0.19620%0.197CC..  trans-81.3170.2173.470.80000111.2P57 Q61 H62 E63 E211P57-T59 PolarHBondContact O-N 2.8Å; P57-T59 VanDerWaalsContact O-N 3.09Å; T59-Q61 VanDerWaalsContact C-N 3.31Å; T59-Q61 PolarHBondContact O-N 3.44Å; T59-Q61 PolarHBondContact OG1-N 3.22Å; T59-H62 WeakPolarHBondContact O-CB 3.29Å; T59-H62 PolarHBondContact O-N 3.39Å; T59-H62 PolarHBondContact OG1-N 2.8Å; T59-H62 PolarHBondContact OG1-ND1 3.05Å; T59-E63 PolarHBondContact O-N 2.97Å; T59-E211 VanDerWaalsContact CB-OE1 3.28Å; T59-E211 WeakPolarHBondContact CB-OE1 3.44Å; T59-E211 HydrophobicContact CG2-CG 4.23Å; T59-E211 PolarHBondContact OG1-OE1 2.92Å
60Q85.9Confident88.5Confident143 Ų14342.5 Ų42.567%0.66821%0.212SC*.Hα-helixtrans-57.7-41.6174.3-174.7-179.2-17.700112.5H62 E63 E64Q60-H62 VanDerWaalsContact C-N 3.29Å; Q60-H62 PolarHBondContact O-N 3.47Å; Q60-E63 PolarHBondContact O-N 3.5Å; Q60-E63 VanDerWaalsContact O-N 3.15Å; Q60-E64 HydrophobicContact CG-CG 4.49Å; Q60-E64 PolarHBondContact NE2-OE1 2.68Å; Q60-E64 WeakPolarHBondContact O-CG 3.29Å; Q60-E64 PolarHBondContact O-N 3.13Å
61Q85.6Confident87.4Confident98 Ų9849.7 Ų49.746%0.45825%0.25SS..Hα-helixtrans-65.1-35.2179.3-54.4-177.346.600111.8T59 F65 R210 E211T59-Q61 VanDerWaalsContact C-N 3.31Å; T59-Q61 PolarHBondContact O-N 3.44Å; T59-Q61 PolarHBondContact OG1-N 3.22Å; Q61-F65 WeakPolarHBondContact O-CB 3.33Å; Q61-F65 PolarHBondContact O-N 2.82Å; Q61-R210 PolarHBondContact OE1-O 2.94Å; Q61-E211 WeakPolarHBondContact CB-OE1 3.48Å; Q61-E211 WeakPolarHBondContact CG-OE1 3.39Å; Q61-E211 PolarHBondContact NE2-OE1 3.25Å; Q61-E211 VanDerWaalsContact NE2-OE1 3.1Å; Q61-E211 PolarHBondContact NE2-OE2 2.55Å
62H85.4Confident86.4Confident6 Ų655.4 Ų55.43%0.02828%0.275CS..Hα-helixtrans-64.6-43.1173.1-73.2101.9000111.6F56 P57 L58 T59 Q60 F65 R66 F207 E211F56-H62 AromaticContact CD2-CD2 3.71Å; F56-H62 AromaticContact CD2-NE2 3.7Å; F56-H62 HydrophobicContact CE2-CB 4.3Å; F56-H62 AromaticContact CE2-CD2 3.6Å; F56-H62 AromaticContact CE2-CG 3.96Å; P57-H62 PolarHBondContact O-ND1 3.37Å; L58-H62 HydrophobicContact CD1-CB 3.95Å; T59-H62 WeakPolarHBondContact O-CB 3.29Å; T59-H62 PolarHBondContact O-N 3.39Å; T59-H62 PolarHBondContact OG1-N 2.8Å; T59-H62 PolarHBondContact OG1-ND1 3.05Å; Q60-H62 VanDerWaalsContact C-N 3.29Å; Q60-H62 PolarHBondContact O-N 3.47Å; H62-F65 PolarHBondContact O-N 3.4Å; H62-R66 WeakPolarHBondContact O-CG 3.41Å; H62-R66 PolarHBondContact O-N 2.89Å; H62-F207 AromaticContact CD2-CD1 3.86Å; H62-F207 PolarHBondContact NE2-O 2.96Å; H62-E211 VanDerWaalsContact CE1-CG 3.48Å; H62-E211 WeakPolarHBondContact CE1-CG 3.26Å
63E85.8Confident85.5Confident89 Ų8957.3 Ų57.342%0.41629%0.286SS..Hα-helixtrans-63.3-43.5176.6-66.2-157.915400112.2L58 T59 Q60 F65 R66 I67L58-E63 HydrophobicContact CD1-CG 4.25Å; L58-E63 HydrophobicContact CD2-CG 4.09Å; L58-E63 WeakPolarHBondContact CD2-OE1 3.31Å; L58-E63 HydrophobicContact CG-CG 3.85Å; T59-E63 PolarHBondContact O-N 2.97Å; Q60-E63 PolarHBondContact O-N 3.5Å; Q60-E63 VanDerWaalsContact O-N 3.15Å; E63-F65 VanDerWaalsContact C-N 3.33Å; E63-F65 PolarHBondContact O-N 3.04Å; E63-R66 PolarHBondContact O-N 2.88Å; E63-I67 WeakPolarHBondContact O-CG1 3.4Å; E63-I67 PolarHBondContact O-N 3.25Å; E63-I67 VanDerWaalsContact O-N 3.11Å
64E86.8Confident84.5Confident92 Ų9259.5 Ų59.543%0.4330%0.3SS..Hα-helixtrans-60.7-42.3175.8-72.2174.5-170.500111.8Q60 I67 Q68Q60-E64 HydrophobicContact CG-CG 4.49Å; Q60-E64 PolarHBondContact NE2-OE1 2.68Å; Q60-E64 WeakPolarHBondContact O-CG 3.29Å; Q60-E64 PolarHBondContact O-N 3.13Å; E64-I67 WeakPolarHBondContact O-CB 3.1Å; E64-I67 PolarHBondContact O-N 2.89Å; E64-Q68 WeakPolarHBondContact O-CG 3.43Å; E64-Q68 PolarHBondContact O-N 2.91Å
65F85.6Confident82.8Confident42 Ų4263.5 Ų63.518%0.18434%0.341CS..Hα-helixtrans-66.4-38.4176.7-175.7-102.1000112.6Q61 H62 E63 I67 Q68 Q69Q61-F65 WeakPolarHBondContact O-CB 3.33Å; Q61-F65 PolarHBondContact O-N 2.82Å; H62-F65 PolarHBondContact O-N 3.4Å; E63-F65 VanDerWaalsContact C-N 3.33Å; E63-F65 PolarHBondContact O-N 3.04Å; F65-I67 VanDerWaalsContact C-N 3.28Å; F65-I67 PolarHBondContact O-N 3.17Å; F65-Q68 CarbonylContact O-C 3.54Å; F65-Q68 WeakPolarHBondContact O-CA 3.45Å; F65-Q68 WeakPolarHBondContact O-CB 3.46Å; F65-Q68 PolarHBondContact O-N 3.19Å; F65-Q69 HydrophobicContact CD1-CG 3.89Å; F65-Q69 VanDerWaalsContact CD1-OE1 3.22Å; F65-Q69 HydrophobicContact CE1-CG 3.41Å; F65-Q69 VanDerWaalsContact CE1-CG 3.41Å; F65-Q69 HydrophobicContact CZ-CG 3.75Å; F65-Q69 PolarHBondContact O-N 3.18Å
66R85.1Confident81.2Confident25 Ų2564.8 Ų64.89%0.09436%0.361CS..Hα-helixtrans-60.8-39.5175.7-73.2167.975.2-118.6-32.4111.4H62 E63 Q68 Q69 A70 D179 K181 M182H62-R66 WeakPolarHBondContact O-CG 3.41Å; H62-R66 PolarHBondContact O-N 2.89Å; E63-R66 PolarHBondContact O-N 2.88Å; R66-Q68 VanDerWaalsContact C-N 3.31Å; R66-Q68 PolarHBondContact O-N 2.72Å; R66-Q69 PolarHBondContact O-N 2.78Å; R66-A70 PolarHBondContact O-N 2.86Å; R66-D179 IonicContact CZ-OD2 2.7Å; R66-D179 VanDerWaalsContact CZ-OD2 3.23Å; R66-D179 IonicContact NE-OD2 2.73Å; R66-D179 PolarHBondContact NE-OD2 2.7Å; R66-D179 IonicContact NH2-OD2 2.82Å; R66-D179 PolarHBondContact NH2-OD2 2.93Å; R66-K181 PolarHBondContact NH2-O 2.78Å; R66-M182 HydrophobicContact CB-SD 3.88Å; R66-M182 HydrophobicContact CG-SD 4.3Å; R66-M182 WeakPolarHBondContact O-CE 3.35Å
67I83Confident79.8Confident128 Ų12869.8 Ų69.866%0.65640%0.397SS*.Hα-helixtrans-60.9-42173.1-64.8165.9000110.7E63 E64 F65 Q69 A70E63-I67 WeakPolarHBondContact O-CG1 3.4Å; E63-I67 PolarHBondContact O-N 3.25Å; E63-I67 VanDerWaalsContact O-N 3.11Å; E64-I67 WeakPolarHBondContact O-CB 3.1Å; E64-I67 PolarHBondContact O-N 2.89Å; F65-I67 VanDerWaalsContact C-N 3.28Å; F65-I67 PolarHBondContact O-N 3.17Å; I67-Q69 VanDerWaalsContact C-N 3.33Å; I67-Q69 PolarHBondContact O-N 2.83Å; I67-A70 WeakPolarHBondContact O-CB 3.39Å; I67-A70 PolarHBondContact O-N 2.95Å
68Q83.1Confident79.6Confident131 Ų13174.8 Ų74.861%0.61242%0.423SS*.Hα-helixtrans-66.8-33.3176.6-63.3172.516.900112.6E64 F65 R66 A70E64-Q68 WeakPolarHBondContact O-CG 3.43Å; E64-Q68 PolarHBondContact O-N 2.91Å; F65-Q68 CarbonylContact O-C 3.54Å; F65-Q68 WeakPolarHBondContact O-CA 3.45Å; F65-Q68 WeakPolarHBondContact O-CB 3.46Å; F65-Q68 PolarHBondContact O-N 3.19Å; R66-Q68 VanDerWaalsContact C-N 3.31Å; R66-Q68 PolarHBondContact O-N 2.72Å; Q68-A70 PolarHBondContact O-N 2.95Å
69Q80.5Confident80Confident3 Ų374.7 Ų74.71%0.01442%0.423CS..Hα-helixtrans-73.1-11.3175.2-74.3-178.2-67.600113.8F65 R66 I67 N71 K72 E177 M182F65-Q69 HydrophobicContact CD1-CG 3.89Å; F65-Q69 VanDerWaalsContact CD1-OE1 3.22Å; F65-Q69 HydrophobicContact CE1-CG 3.41Å; F65-Q69 VanDerWaalsContact CE1-CG 3.41Å; F65-Q69 HydrophobicContact CZ-CG 3.75Å; F65-Q69 PolarHBondContact O-N 3.18Å; R66-Q69 PolarHBondContact O-N 2.78Å; I67-Q69 VanDerWaalsContact C-N 3.33Å; I67-Q69 PolarHBondContact O-N 2.83Å; Q69-N71 PolarHBondContact O-N 3.06Å; Q69-K72 WeakPolarHBondContact O-CA 3.34Å; Q69-K72 WeakPolarHBondContact O-CB 3.36Å; Q69-K72 PolarHBondContact O-N 2.85Å; Q69-E177 PolarHBondContact NE2-OE2 3.24Å; Q69-M182 HydrophobicContact CB-CE 3.94Å
70A77.4Confident80.5Confident47 Ų4774.1 Ų74.139%0.38842%0.418SS..G310 helixtrans-54.3-32-179.100000112.8R66 I67 Q68 K72 V73R66-A70 PolarHBondContact O-N 2.86Å; I67-A70 WeakPolarHBondContact O-CB 3.39Å; I67-A70 PolarHBondContact O-N 2.95Å; Q68-A70 PolarHBondContact O-N 2.95Å; A70-K72 VanDerWaalsContact C-N 3.28Å; A70-K72 PolarHBondContact O-N 2.9Å; A70-V73 WeakPolarHBondContact O-CB 3.38Å; A70-V73 WeakPolarHBondContact O-CG2 3.32Å; A70-V73 PolarHBondContact O-N 3.43Å
71N75Confident81Confident155 Ų15567.5 Ų67.583%0.82939%0.386SS*.G310 helixtrans-72.8-17.1176.8-64.6-28.2000114.1Q69Q69-N71 PolarHBondContact O-N 3.06Å
72K76Confident81.5Confident119 Ų11962.8 Ų62.852%0.51737%0.365SS..G310 helixtrans-92.3-2.7176.3-61.1-176.4177.8-1790112.6Q69 A70 T74 V186Q69-K72 WeakPolarHBondContact O-CA 3.34Å; Q69-K72 WeakPolarHBondContact O-CB 3.36Å; Q69-K72 PolarHBondContact O-N 2.85Å; A70-K72 VanDerWaalsContact C-N 3.28Å; A70-K72 PolarHBondContact O-N 2.9Å; K72-T74 PolarHBondContact O-N 3.01Å; K72-V186 HydrophobicContact CB-CG1 3.91Å
73V81.1Confident81.9Confident40 Ų4064.3 Ų64.324%0.24237%0.371CS..BIsolated β-bridgetrans-62.7120.1173.1173.10000108.1A70 M182 P185 V186A70-V73 WeakPolarHBondContact O-CB 3.38Å; A70-V73 WeakPolarHBondContact O-CG2 3.32Å; A70-V73 PolarHBondContact O-N 3.43Å; V73-M182 HydrophobicContact CG2-CE 4.13Å; V73-P185 WeakPolarHBondContact CA-O 3.4Å; V73-V186 HydrophobicContact CG2-CG2 4.26Å
74T75.8Confident82.2Confident46 Ų4661.9 Ų61.928%0.28236%0.36SS..PPolyproline II helixtrans-91.8132.1177.757.30000110K72 Y176 P185 N187K72-T74 PolarHBondContact O-N 3.01Å; T74-Y176 WeakPolarHBondContact OG1-CE1 3.43Å; T74-P185 PolarHBondContact N-O 3.38Å; T74-P185 PolarHBondContact OG1-O 3.48Å; T74-N187 HydrophobicContact CG2-CB 3.72Å
75G60.6Low82Confident84 Ų8460.7 Ų60.787%0.86636%0.358SS*.PPolyproline II helixtrans-88123.3165.800000109.4
76G60.5Low82Confident55 Ų5559.5 Ų59.557%0.56736%0.357SS*.  trans-172.1151.117900000112.6
77S62.7Low82.1Confident110 Ų11063 Ų6377%0.76939%0.385SS*.SBendtrans-77.1-16.8-178.644.40000114.8V79S77-V79 VanDerWaalsContact C-N 3.27Å; S77-V79 PolarHBondContact O-N 3.02Å
78D82.8Confident82.3Confident112 Ų11260.5 Ų60.560%0.59937%0.373SS*.SBendtrans-85.4-4.6-161.7-57.7-13.2000113.3
79V94.4Very high82.7Confident11 Ų1154.4 Ų54.47%0.06734%0.344CS..SBendtrans-121.9138.4-176.7-66.50000110.7S77 N101 V171 Y176 F178 P185S77-V79 VanDerWaalsContact C-N 3.27Å; S77-V79 PolarHBondContact O-N 3.02Å; V79-N101 WeakPolarHBondContact CA-OD1 3.45Å; V79-V171 HydrophobicContact CG1-CB 4.09Å; V79-V171 HydrophobicContact CG1-CG1 3.98Å; V79-V171 HydrophobicContact CG1-CG2 4.14Å; V79-Y176 HydrophobicContact CG1-CD2 3.99Å; V79-Y176 HydrophobicContact CG1-CE1 4.42Å; V79-Y176 HydrophobicContact CG1-CE2 3.88Å; V79-Y176 HydrophobicContact CG1-CG 4.3Å; V79-F178 HydrophobicContact CB-CE1 4.1Å; V79-F178 HydrophobicContact CB-CZ 4.19Å; V79-F178 HydrophobicContact CG1-CZ 4.27Å; V79-P185 HydrophobicContact CG2-CG 3.6Å
80Y97.1Very high83.2Confident21 Ų2154.9 Ų54.98%0.08235%0.348CS..  trans-89109174.8-171.3-81000109.6L82 V96 A100 N101 F117 L118 T121 F178Y80-L82 HydrophobicContact CE1-CD1 3.88Å; Y80-L82 HydrophobicContact CE1-CG 3.84Å; Y80-V96 HydrophobicContact CE1-CG1 4.01Å; Y80-A100 HydrophobicContact CD1-CB 3.35Å; Y80-A100 HydrophobicContact CD2-CB 4.26Å; Y80-A100 HydrophobicContact CE1-CB 4.01Å; Y80-A100 HydrophobicContact CG-CB 3.5Å; Y80-N101 PolarHBondContact N-OD1 3.3Å; Y80-N101 PolarHBondContact O-ND2 2.94Å; Y80-F117 WeakPolarHBondContact OH-CE1 3.26Å; Y80-L118 HydrophobicContact CD1-CD2 4.49Å; Y80-L118 HydrophobicContact CE1-CD2 3.98Å; Y80-L118 HydrophobicContact CE2-CD2 4.07Å; Y80-T121 PolarHBondContact OH-OG1 3.4Å; Y80-F178 WeakPolarHBondContact O-CE1 3.26Å
81F96.8Very high84Confident3 Ų352.7 Ų52.71%0.01333%0.33CS..  trans-119.9146.6-178.4-172-98.4000111.7K83 P126 R129 F178 D179 M182 G184 P185F81-K83 HydrophobicContact CE1-CG 3.82Å; F81-P126 HydrophobicContact CD1-CB 3.91Å; F81-P126 HydrophobicContact CD1-CG 4.21Å; F81-R129 WeakPolarHBondContact O-CD 3.38Å; F81-F178 AromaticContact CD2-CD1 3.83Å; F81-F178 HydrophobicContact CD2-CD1 3.83Å; F81-D179 VanDerWaalsContact CZ-O 3.23Å; F81-D179 WeakPolarHBondContact CZ-O 3.31Å; F81-M182 WeakPolarHBondContact CZ-O 3.33Å; F81-G184 VanDerWaalsContact CE1-CA 3.47Å; F81-P185 HydrophobicContact CD2-CB 4.09Å; F81-P185 HydrophobicContact CD2-CG 4.32Å
82L95.9Very high85Confident0 Ų045.3 Ų45.30%029%0.291CS..  trans-135.5131.5179.6-77.1163.2000106.9Y80 I93 V96 H97 F117 R129 L133 G180Y80-L82 HydrophobicContact CE1-CD1 3.88Å; Y80-L82 HydrophobicContact CE1-CG 3.84Å; L82-I93 HydrophobicContact CB-CG2 4.19Å; L82-V96 HydrophobicContact CD1-CB 3.96Å; L82-V96 HydrophobicContact CD1-CG1 3.45Å; L82-V96 VanDerWaalsContact CD1-CG1 3.45Å; L82-H97 WeakPolarHBondContact CB-NE2 3.41Å; L82-H97 PolarHBondContact N-NE2 2.82Å; L82-H97 PolarHBondContact O-CE1 3.28Å; L82-H97 PolarHBondContact O-NE2 3.4Å; L82-F117 HydrophobicContact CD1-CE1 4.41Å; L82-F117 HydrophobicContact CD2-CZ 4.25Å; L82-R129 VanDerWaalsContact CD2-C 3.41Å; L82-R129 HydrophobicContact CD2-CB 3.45Å; L82-R129 VanDerWaalsContact CD2-CB 3.45Å; L82-R129 WeakPolarHBondContact CD2-O 3.46Å; L82-R129 HydrophobicContact CG-CB 4.45Å; L82-L133 HydrophobicContact CD1-CD2 4.19Å; L82-L133 HydrophobicContact CD2-CB 4.5Å; L82-G180 WeakPolarHBondContact O-CA 3.37Å
83K94.9Very high86Confident38 Ų3839.8 Ų39.817%0.16527%0.267CS..  trans-80.9145.7165.6-63.2-176.8-169.3169.30110.7F81 V85 D127 S130 G180F81-K83 HydrophobicContact CE1-CG 3.82Å; K83-V85 HydrophobicContact CB-CG1 4.4Å; K83-D127 VanDerWaalsContact CD-OD1 3.29Å; K83-D127 WeakPolarHBondContact CD-OD1 3.05Å; K83-D127 WeakPolarHBondContact CE-OD1 3.37Å; K83-D127 IonicContact NZ-OD1 3.43Å; K83-D127 PolarHBondContact NZ-OD1 3.45Å; K83-D127 IonicContact NZ-OD2 2.69Å; K83-D127 PolarHBondContact NZ-OD2 3.48Å; K83-S130 WeakPolarHBondContact CA-OG 3.41Å; K83-S130 PolarHBondContact N-OG 3.47Å; K83-S130 WeakPolarHBondContact O-CB 3.43Å; K83-S130 PolarHBondContact O-OG 3.14Å; K83-G180 CarbonylContact C-O 3.58Å; K83-G180 VanDerWaalsContact CA-O 3.24Å; K83-G180 WeakPolarHBondContact CA-O 3.44Å
84Q91.8Very high86.7Confident37 Ų3738 Ų3817%0.17326%0.256CS..  trans-81.2121.8169.7-177.5175.9-6.400109.3A86 I93 H164 G180 K181Q84-A86 WeakPolarHBondContact CG-O 3.22Å; Q84-A86 PolarHBondContact NE2-O 3.13Å; Q84-I93 VanDerWaalsContact CA-CD1 3.44Å; Q84-I93 HydrophobicContact CB-CD1 3.6Å; Q84-I93 HydrophobicContact CG-CD1 3.75Å; Q84-H164 PolarHBondContact OE1-CE1 3.32Å; Q84-G180 VanDerWaalsContact N-C 3.31Å; Q84-G180 PolarHBondContact N-O 2.66Å; Q84-K181 HydrophobicContact CB-CG 4.42Å
85V82.3Confident87.8Confident67 Ų6735.8 Ų35.841%0.40624%0.242SC..  trans-126.2-22-173.3-70.50000111.5K83 E134K83-V85 HydrophobicContact CB-CG1 4.4Å; V85-E134 HydrophobicContact CB-CG 4.23Å; V85-E134 WeakPolarHBondContact CB-OE1 3.36Å; V85-E134 HydrophobicContact CG2-CG 3.24Å; V85-E134 WeakPolarHBondContact CG2-OE1 3.43Å
86A85.4Confident89.6Confident18 Ų1831.8 Ų31.815%0.14920%0.201CC..SBendtrans-108.9140.5169.700000112.5W6 Q84 S89W6-A86 VanDerWaalsContact CD1-CB 3.45Å; W6-A86 HydrophobicContact CG-CB 4.16Å; Q84-A86 WeakPolarHBondContact CG-O 3.22Å; Q84-A86 PolarHBondContact NE2-O 3.13Å; A86-S89 PolarHBondContact O-OG 2.94Å
87S86.8Confident91.4Very high97 Ų9729.2 Ų29.268%0.67817%0.174SC*.THydrogen-bonded Turntrans-57.4153.8168.6-610000111W6 S89W6-S87 WeakPolarHBondContact CB-O 3.14Å; S87-S89 PolarHBondContact O-N 2.83Å
88N87.8Confident93.1Very high77 Ų7724 Ų2441%0.41214%0.137SC..THydrogen-bonded Turntrans61.1-3.4179.6-54-28.1000117W6 C90 H143W6-N88 HydrophobicContact CB-CB 4.22Å; W6-N88 WeakPolarHBondContact O-CB 3.34Å; W6-N88 PolarHBondContact O-ND2 3.24Å; N88-C90 PolarHBondContact O-N 2.83Å; N88-H143 PolarHBondContact O-CE1 3.43Å
89S91.1Very high93.8Very high2 Ų218.6 Ų18.61%0.01411%0.109CC..  trans-83.7-5-179.668.70000114.8A86 S87 G91 T92 I93A86-S89 PolarHBondContact O-OG 2.94Å; S87-S89 PolarHBondContact O-N 2.83Å; S89-G91 VanDerWaalsContact C-N 3.32Å; S89-G91 PolarHBondContact O-N 3Å; S89-T92 PolarHBondContact O-N 2.83Å; S89-T92 VanDerWaalsContact O-N 3.09Å; S89-I93 WeakPolarHBondContact O-CG1 3.24Å; S89-I93 PolarHBondContact O-N 2.92Å; S89-I93 WeakPolarHBondContact OG-CD1 3.49Å
90C92.2Very high93.9Very high14 Ų1418.8 Ų18.810%0.09511%0.111CC..Hα-helixtrans-55.2-41.7-17257.10000113.4N88 I93 A94 F165N88-C90 PolarHBondContact O-N 2.83Å; C90-I93 PolarHBondContact O-N 2.92Å; C90-A94 WeakPolarHBondContact O-CB 3.29Å; C90-A94 PolarHBondContact O-N 3.49Å; C90-F165 HydrophobicContact CB-CB 4.25Å
91G93.4Very high94Very high0 Ų018.9 Ų18.90%011%0.113CC..Hα-helixtrans-62.2-44.3177.100000113.6I11 S89 A94 L95I11-G91 VanDerWaalsContact CD1-CA 3.41Å; S89-G91 VanDerWaalsContact C-N 3.32Å; S89-G91 PolarHBondContact O-N 3Å; G91-A94 PolarHBondContact O-N 3.31Å; G91-L95 WeakPolarHBondContact O-CB 3.47Å; G91-L95 PolarHBondContact O-N 2.81Å
92T95.4Very high94Very high1 Ų119 Ų191%0.00611%0.114CC..Hα-helixtrans-67.3-39.7176.2-64.70000111.1W6 S89 L95 V96 I139 H143W6-T92 HydrophobicContact CH2-CG2 4.26Å; W6-T92 HydrophobicContact CZ3-CG2 3.93Å; S89-T92 PolarHBondContact O-N 2.83Å; S89-T92 VanDerWaalsContact O-N 3.09Å; T92-L95 PolarHBondContact O-N 2.85Å; T92-V96 HydrophobicContact CG2-CG2 4.38Å; T92-V96 VanDerWaalsContact O-CG2 3.24Å; T92-V96 WeakPolarHBondContact O-CG2 3.34Å; T92-V96 PolarHBondContact O-N 2.97Å; T92-I139 HydrophobicContact CG2-CG2 3.82Å; T92-H143 PolarHBondContact OG1-ND1 2.73Å
93I96.6Very high94Very high3 Ų322.3 Ų22.32%0.01513%0.129CC..Hα-helixtrans-61.4-48.1176.2-70.6173.1000110.9L82 Q84 S89 C90 L95 V96 H97 L133L82-I93 HydrophobicContact CB-CG2 4.19Å; Q84-I93 VanDerWaalsContact CA-CD1 3.44Å; Q84-I93 HydrophobicContact CB-CD1 3.6Å; Q84-I93 HydrophobicContact CG-CD1 3.75Å; S89-I93 WeakPolarHBondContact O-CG1 3.24Å; S89-I93 PolarHBondContact O-N 2.92Å; S89-I93 WeakPolarHBondContact OG-CD1 3.49Å; C90-I93 PolarHBondContact O-N 2.92Å; I93-L95 VanDerWaalsContact C-N 3.34Å; I93-L95 PolarHBondContact O-N 3.32Å; I93-V96 PolarHBondContact O-N 2.92Å; I93-V96 VanDerWaalsContact O-N 3.15Å; I93-H97 WeakPolarHBondContact CG2-CE1 3.44Å; I93-H97 PolarHBondContact O-N 3.2Å; I93-H97 PolarHBondContact O-ND1 2.96Å; I93-L133 HydrophobicContact CD1-CD2 4.48Å; I93-L133 HydrophobicContact CG1-CD2 3.82Å
94A97.4Very high93.9Very high1 Ų125.8 Ų25.81%0.00816%0.164CC..Hα-helixtrans-62.7-39177.500000112.2M53 C90 G91 H97 A98 F165 A167M53-A94 HydrophobicContact CE-CB 3.62Å; M53-A94 HydrophobicContact CG-CB 4.46Å; M53-A94 HydrophobicContact SD-CB 4.36Å; C90-A94 WeakPolarHBondContact O-CB 3.29Å; C90-A94 PolarHBondContact O-N 3.49Å; G91-A94 PolarHBondContact O-N 3.31Å; A94-H97 PolarHBondContact O-N 2.98Å; A94-A98 WeakPolarHBondContact O-CB 3.46Å; A94-A98 PolarHBondContact O-N 3.04Å; A94-F165 HydrophobicContact CB-CB 4.15Å; A94-A167 HydrophobicContact CB-CB 4.16Å
95L97.7Very high94.1Very high0 Ų027.5 Ų27.50%017%0.171CC..Hα-helixtrans-60.9-44172175.9150000111.6L16 I19 M20 L23 F31 G91 T92 I93 A98 I99 L114L16-L95 HydrophobicContact CD2-CB 4.34Å; L16-L95 HydrophobicContact CD2-CD1 3.89Å; I19-L95 HydrophobicContact CB-CD1 4.12Å; I19-L95 HydrophobicContact CG2-CD1 3.74Å; I19-L95 HydrophobicContact CG2-CD2 4.21Å; M20-L95 HydrophobicContact CB-CD1 4.38Å; L23-L95 HydrophobicContact CD1-CD2 4.18Å; F31-L95 HydrophobicContact CE2-CD1 4.29Å; G91-L95 WeakPolarHBondContact O-CB 3.47Å; G91-L95 PolarHBondContact O-N 2.81Å; T92-L95 PolarHBondContact O-N 2.85Å; I93-L95 VanDerWaalsContact C-N 3.34Å; I93-L95 PolarHBondContact O-N 3.32Å; L95-A98 PolarHBondContact O-N 3.21Å; L95-I99 HydrophobicContact CD2-CD1 3.54Å; L95-I99 HydrophobicContact CG-CD1 3.85Å; L95-I99 PolarHBondContact O-N 3.35Å; L95-L114 HydrophobicContact CD2-CD2 4.49Å
96V98Very high94.7Very high0 Ų025 Ų250%016%0.155CC..Hα-helixtrans-65.7-40.71771750000110.7Y80 L82 T92 I93 A98 I99 A100 L114 F117 L118Y80-V96 HydrophobicContact CE1-CG1 4.01Å; L82-V96 HydrophobicContact CD1-CB 3.96Å; L82-V96 HydrophobicContact CD1-CG1 3.45Å; L82-V96 VanDerWaalsContact CD1-CG1 3.45Å; T92-V96 HydrophobicContact CG2-CG2 4.38Å; T92-V96 VanDerWaalsContact O-CG2 3.24Å; T92-V96 WeakPolarHBondContact O-CG2 3.34Å; T92-V96 PolarHBondContact O-N 2.97Å; I93-V96 PolarHBondContact O-N 2.92Å; I93-V96 VanDerWaalsContact O-N 3.15Å; V96-A98 PolarHBondContact O-N 3.31Å; V96-I99 PolarHBondContact O-N 2.77Å; V96-A100 WeakPolarHBondContact O-CB 3.46Å; V96-A100 PolarHBondContact O-N 2.99Å; V96-L114 HydrophobicContact CG1-CD1 4.33Å; V96-L114 HydrophobicContact CG2-CD1 3.93Å; V96-F117 HydrophobicContact CG1-CE1 4.12Å; V96-L118 HydrophobicContact CG1-CD2 4.12Å
97H98.3Very high95.2Very high1 Ų128 Ų281%0.00517%0.172CC..Hα-helixtrans-59.5-45.6173-67.3147.8000111.8L82 I93 A94 I99 N101 A167 F178L82-H97 WeakPolarHBondContact CB-NE2 3.41Å; L82-H97 PolarHBondContact N-NE2 2.82Å; L82-H97 PolarHBondContact O-CE1 3.28Å; L82-H97 PolarHBondContact O-NE2 3.4Å; I93-H97 WeakPolarHBondContact CG2-CE1 3.44Å; I93-H97 PolarHBondContact O-N 3.2Å; I93-H97 PolarHBondContact O-ND1 2.96Å; A94-H97 PolarHBondContact O-N 2.98Å; H97-I99 PolarHBondContact O-N 3.07Å; H97-N101 WeakPolarHBondContact O-CB 3.41Å; H97-N101 PolarHBondContact O-N 3.39Å; H97-N101 PolarHBondContact O-ND2 3.18Å; H97-A167 HydrophobicContact CB-CB 4.07Å; H97-F178 HydrophobicContact CB-CB 3.85Å; H97-F178 HydrophobicContact CB-CD1 4.15Å; H97-F178 HydrophobicContact CB-CG 4Å; H97-F178 AromaticContact CD2-CD1 4Å; H97-F178 AromaticContact CG-CD1 3.96Å; H97-F178 VanDerWaalsContact ND1-CB 3.34Å; H97-F178 WeakPolarHBondContact ND1-CB 3.39Å
98A98.3Very high95.8Very high0 Ų025 Ų250%015%0.147CC..Hα-helixtrans-59.1-46.5178.600000112.1F31 A51 A94 L95 V96 N102F31-A98 HydrophobicContact CZ-CB 4.42Å; A51-A98 HydrophobicContact CB-CB 3.55Å; A94-A98 WeakPolarHBondContact O-CB 3.46Å; A94-A98 PolarHBondContact O-N 3.04Å; L95-A98 PolarHBondContact O-N 3.21Å; V96-A98 PolarHBondContact O-N 3.31Å; A98-N102 WeakPolarHBondContact O-CB 3.39Å; A98-N102 PolarHBondContact O-ND2 3.09Å
99I97.9Very high96.2Very high0 Ų026.2 Ų26.20%015%0.149CC..Hα-helixtrans-76.1-45.8-177.9-72.6156.9000111.9M20 V25 L95 V96 H97 N101 N102 K103 M106 F108 L114 L118M20-I99 HydrophobicContact CG-CD1 4.05Å; M20-I99 HydrophobicContact SD-CD1 4.22Å; V25-I99 HydrophobicContact CG2-CD1 4.2Å; L95-I99 HydrophobicContact CD2-CD1 3.54Å; L95-I99 HydrophobicContact CG-CD1 3.85Å; L95-I99 PolarHBondContact O-N 3.35Å; V96-I99 PolarHBondContact O-N 2.77Å; H97-I99 PolarHBondContact O-N 3.07Å; I99-N101 VanDerWaalsContact C-N 3.35Å; I99-N101 PolarHBondContact O-N 2.66Å; I99-N102 CarbonylContact O-C 3.55Å; I99-N102 PolarHBondContact O-N 3.4Å; I99-K103 WeakPolarHBondContact O-CA 3.35Å; I99-K103 PolarHBondContact O-N 3.26Å; I99-M106 HydrophobicContact CG1-SD 4.41Å; I99-M106 HydrophobicContact CG2-CG 4.14Å; I99-F108 HydrophobicContact CG2-CE1 4.07Å; I99-F108 HydrophobicContact CG2-CZ 3.9Å; I99-L114 HydrophobicContact CB-CD2 4.18Å; I99-L114 HydrophobicContact CD1-CD2 3.68Å; I99-L114 HydrophobicContact CG2-CD2 3.67Å; I99-L114 HydrophobicContact CG2-CG 4.48Å; I99-L118 HydrophobicContact CG2-CD1 4.22Å
100A97.8Very high96.4Very high14 Ų1434.4 Ų34.412%0.11619%0.193CC..Hα-helixtrans-62.6-42.1-175.600000112.1Y80 V96 N102 K103 L118Y80-A100 HydrophobicContact CD1-CB 3.35Å; Y80-A100 HydrophobicContact CD2-CB 4.26Å; Y80-A100 HydrophobicContact CE1-CB 4.01Å; Y80-A100 HydrophobicContact CG-CB 3.5Å; V96-A100 WeakPolarHBondContact O-CB 3.46Å; V96-A100 PolarHBondContact O-N 2.99Å; A100-N102 PolarHBondContact O-N 2.87Å; A100-K103 WeakPolarHBondContact O-CB 3.47Å; A100-K103 PolarHBondContact O-N 3Å; A100-L118 HydrophobicContact CB-CD1 4.27Å; A100-L118 HydrophobicContact CB-CD2 3.57Å
101N97.8Very high96.5Very high23 Ų2337.1 Ų37.112%0.12322%0.223CC..THydrogen-bonded Turntrans-78.4-4.8178-66.2-77.9000113.1V79 Y80 H97 I99 V169 V171 F178V79-N101 WeakPolarHBondContact CA-OD1 3.45Å; Y80-N101 PolarHBondContact N-OD1 3.3Å; Y80-N101 PolarHBondContact O-ND2 2.94Å; H97-N101 WeakPolarHBondContact O-CB 3.41Å; H97-N101 PolarHBondContact O-N 3.39Å; H97-N101 PolarHBondContact O-ND2 3.18Å; I99-N101 VanDerWaalsContact C-N 3.35Å; I99-N101 PolarHBondContact O-N 2.66Å; N101-V169 HydrophobicContact CB-CB 4.27Å; N101-V169 HydrophobicContact CB-CG1 3.8Å; N101-V169 HydrophobicContact CB-CG2 4.31Å; N101-V171 HydrophobicContact CB-CG2 3.92Å; N101-F178 HydrophobicContact CB-CZ 4.4Å; N101-F178 VanDerWaalsContact ND2-CE1 3.34Å; N101-F178 WeakPolarHBondContact ND2-CE1 3.46Å
102N97.1Very high96.7Very high5 Ų537.3 Ų37.33%0.02723%0.225CC..THydrogen-bonded Turntrans-119.720.9170.7-72.3-71.3000112.5C50 A98 I99 A100 A104 K105 M106 V169C50-N102 HydrophobicContact CB-CB 4.48Å; C50-N102 WeakPolarHBondContact CB-OD1 3.24Å; C50-N102 PolarHBondContact O-ND2 3.45Å; A98-N102 WeakPolarHBondContact O-CB 3.39Å; A98-N102 PolarHBondContact O-ND2 3.09Å; I99-N102 CarbonylContact O-C 3.55Å; I99-N102 PolarHBondContact O-N 3.4Å; A100-N102 PolarHBondContact O-N 2.87Å; N102-A104 PolarHBondContact O-N 2.75Å; N102-K105 HydrophobicContact CB-CD 4.34Å; N102-K105 WeakPolarHBondContact O-CB 3.23Å; N102-K105 PolarHBondContact O-N 3.08Å; N102-K105 PolarHBondContact OD1-NZ 2.85Å; N102-M106 HydrophobicContact CB-CE 4.18Å; N102-M106 WeakPolarHBondContact O-CG 3.32Å; N102-V169 VanDerWaalsContact ND2-CG1 3.31Å; N102-V169 WeakPolarHBondContact ND2-CG1 3.21Å
103K95.7Very high96.9Very high71 Ų7139.1 Ų39.131%0.30924%0.236SC..G310 helixtrans-52.1-35.2-171.3-174.7178.6-179.7179.60113.7I99 A100 K105 M106 F108 D119I99-K103 WeakPolarHBondContact O-CA 3.35Å; I99-K103 PolarHBondContact O-N 3.26Å; A100-K103 WeakPolarHBondContact O-CB 3.47Å; A100-K103 PolarHBondContact O-N 3Å; K103-K105 VanDerWaalsContact C-N 3.27Å; K103-K105 PolarHBondContact O-N 3.28Å; K103-M106 PolarHBondContact O-N 3.15Å; K103-F108 HydrophobicContact CG-CE2 3.98Å; K103-F108 HydrophobicContact CG-CZ 4.28Å; K103-D119 IonicContact NZ-OD1 2.7Å; K103-D119 PolarHBondContact NZ-OD1 3.43Å
104A94.3Very high97Very high110 Ų11039 Ų3991%0.90924%0.235SC*.G310 helixtrans-67-21.7177.700000114.5N102N102-A104 PolarHBondContact O-N 2.75Å
105K94.6Very high97Very high74 Ų7442.9 Ų42.932%0.32225%0.252SS..G310 helixtrans-91-11.5176.9-60.3172-173.7154.50112.4W29 C50 N102 K103W29-K105 HydrophobicContact CH2-CD 4.45Å; W29-K105 HydrophobicContact CZ2-CB 4.03Å; W29-K105 HydrophobicContact CZ2-CD 4.23Å; W29-K105 PolarHBondContact NE1-O 3.4Å; C50-K105 HydrophobicContact CB-CD 3.96Å; N102-K105 HydrophobicContact CB-CD 4.34Å; N102-K105 WeakPolarHBondContact O-CB 3.23Å; N102-K105 PolarHBondContact O-N 3.08Å; N102-K105 PolarHBondContact OD1-NZ 2.85Å; K103-K105 VanDerWaalsContact C-N 3.27Å; K103-K105 PolarHBondContact O-N 3.28Å
106M95.7Very high97Very high15 Ų1546 Ų467%0.07427%0.271CS..  trans-96.3142.1-171.1-60.8-67.612000111.2V25 W29 I99 N102 K103 F108 L222V25-M106 HydrophobicContact CG1-SD 4.33Å; W29-M106 HydrophobicContact CB-CE 4.2Å; W29-M106 HydrophobicContact CB-SD 4.44Å; W29-M106 HydrophobicContact CD2-CE 3.72Å; W29-M106 HydrophobicContact CE3-CE 4.36Å; W29-M106 HydrophobicContact CG-CE 3.61Å; W29-M106 HydrophobicContact CG-SD 4.33Å; I99-M106 HydrophobicContact CG1-SD 4.41Å; I99-M106 HydrophobicContact CG2-CG 4.14Å; N102-M106 HydrophobicContact CB-CE 4.18Å; N102-M106 WeakPolarHBondContact O-CG 3.32Å; K103-M106 PolarHBondContact O-N 3.15Å; M106-F108 HydrophobicContact CB-CD2 4.36Å; M106-F108 HydrophobicContact CB-CE2 3.62Å; M106-F108 HydrophobicContact CB-CZ 3.77Å; M106-F108 HydrophobicContact CG-CZ 4.5Å; M106-L222 HydrophobicContact CE-CD2 4.08Å; M106-L222 HydrophobicContact SD-CD2 4.42Å
107T96.6Very high97Very high80 Ų8046 Ų4649%0.49127%0.271SS..EExtended strand (participates in β ladder)trans-101.6137.2168.3-55.50000108.5S26S26-T107 PolarHBondContact N-O 3.19Å; S26-T107 WeakPolarHBondContact O-CB 3.42Å
108F97.3Very high97Very high35 Ų3546.1 Ų46.115%0.15427%0.272CS..EExtended strand (participates in β ladder)trans-122.9137.1179.3-62.6-86.6000109.2G24 V25 I99 K103 M106 L114 K115 L118G24-F108 WeakPolarHBondContact O-CA 3.44Å; V25-F108 HydrophobicContact CG2-CD1 3.97Å; V25-F108 HydrophobicContact CG2-CE1 3.79Å; I99-F108 HydrophobicContact CG2-CE1 4.07Å; I99-F108 HydrophobicContact CG2-CZ 3.9Å; K103-F108 HydrophobicContact CG-CE2 3.98Å; K103-F108 HydrophobicContact CG-CZ 4.28Å; M106-F108 HydrophobicContact CB-CD2 4.36Å; M106-F108 HydrophobicContact CB-CE2 3.62Å; M106-F108 HydrophobicContact CB-CZ 3.77Å; M106-F108 HydrophobicContact CG-CZ 4.5Å; F108-L114 HydrophobicContact CE1-CG 4.41Å; F108-K115 HydrophobicContact CB-CB 3.92Å; F108-K115 HydrophobicContact CB-CD 3.73Å; F108-K115 HydrophobicContact CB-CG 4.26Å; F108-K115 HydrophobicContact CD1-CB 3.71Å; F108-K115 HydrophobicContact CD1-CG 4.49Å; F108-K115 HydrophobicContact CD2-CB 4.44Å; F108-K115 HydrophobicContact CD2-CD 4.28Å; F108-K115 HydrophobicContact CD2-CG 4.37Å; F108-K115 HydrophobicContact CE1-CB 4.31Å; F108-K115 HydrophobicContact CG-CB 3.78Å; F108-K115 HydrophobicContact CG-CD 4.07Å; F108-K115 HydrophobicContact CG-CG 4.14Å; F108-L118 HydrophobicContact CE1-CD1 4.44Å; F108-L118 HydrophobicContact CZ-CD1 4.18Å
109E96.5Very high97Very high101 Ų10149.6 Ų49.647%0.47229%0.29SS..  trans-71.6159.7176.1-58.7-175.4167.900111.5G24 S26 G111 S112G24-E109 PolarHBondContact O-N 3.19Å; S26-E109 WeakPolarHBondContact OG-CG 3.44Å; E109-G111 PolarHBondContact O-N 3.34Å; E109-S112 VanDerWaalsContact O-CB 3.3Å; E109-S112 WeakPolarHBondContact O-CB 3.43Å; E109-S112 PolarHBondContact O-N 2.91Å
110N95.3Very high97Very high174 Ų17454.5 Ų54.593%0.9331%0.313SS*.THydrogen-bonded Turntrans-60.6124.6170.4-73.9-23.6000109.4
111G95.3Very high97Very high71 Ų7153.9 Ų53.973%0.73231%0.308SS*.THydrogen-bonded Turntrans81.112.9-175.600000114.6E109 V113E109-G111 PolarHBondContact O-N 3.34Å; G111-V113 PolarHBondContact O-N 2.86Å; G111-V113 VanDerWaalsContact O-N 3.14Å
112S98.2Very high96.9Very high4 Ų455.4 Ų55.43%0.02832%0.324CS..  trans-51.3121.2173.3168.90000111.5L23 G24 E109 L114 K115 T116L23-S112 PolarHBondContact O-OG 3.48Å; G24-S112 WeakPolarHBondContact O-CB 3.48Å; G24-S112 PolarHBondContact O-OG 2.92Å; E109-S112 VanDerWaalsContact O-CB 3.3Å; E109-S112 WeakPolarHBondContact O-CB 3.43Å; E109-S112 PolarHBondContact O-N 2.91Å; S112-L114 VanDerWaalsContact C-N 3.33Å; S112-L114 PolarHBondContact OG-N 2.94Å; S112-K115 PolarHBondContact O-N 3.27Å; S112-K115 PolarHBondContact OG-N 2.75Å; S112-T116 PolarHBondContact O-N 3.28Å; S112-T116 PolarHBondContact O-OG1 3.47Å
113V98.3Very high96.7Very high40 Ų4059.2 Ų59.224%0.24237%0.365CS..Hα-helixtrans-61.6-45.3176.4175.50000109.8L23 G111 T116 F117 A138 I139L23-V113 HydrophobicContact CD2-CB 4.33Å; L23-V113 HydrophobicContact CD2-CG1 4.21Å; L23-V113 PolarHBondContact O-N 3.35Å; G111-V113 PolarHBondContact O-N 2.86Å; G111-V113 VanDerWaalsContact O-N 3.14Å; V113-T116 PolarHBondContact O-N 3.43Å; V113-F117 WeakPolarHBondContact O-CB 3.46Å; V113-F117 PolarHBondContact O-N 2.94Å; V113-A138 HydrophobicContact CG1-CB 3.65Å; V113-A138 HydrophobicContact CG2-CB 4.23Å; V113-I139 HydrophobicContact CG1-CG1 3.74Å
114L98.3Very high96.7Very high0 Ų058.7 Ų58.70%036%0.364CS..Hα-helixtrans-68.1-40.4-179.5-179.259.7000111.9L23 V25 L95 V96 I99 F108 S112 T116 F117 L118L23-L114 HydrophobicContact CB-CB 3.91Å; L23-L114 HydrophobicContact CD1-CB 4.43Å; L23-L114 HydrophobicContact CD1-CD2 4.4Å; L23-L114 PolarHBondContact O-N 3.05Å; L23-L114 VanDerWaalsContact O-N 3.13Å; V25-L114 HydrophobicContact CG2-CD2 3.72Å; L95-L114 HydrophobicContact CD2-CD2 4.49Å; V96-L114 HydrophobicContact CG1-CD1 4.33Å; V96-L114 HydrophobicContact CG2-CD1 3.93Å; I99-L114 HydrophobicContact CB-CD2 4.18Å; I99-L114 HydrophobicContact CD1-CD2 3.68Å; I99-L114 HydrophobicContact CG2-CD2 3.67Å; I99-L114 HydrophobicContact CG2-CG 4.48Å; F108-L114 HydrophobicContact CE1-CG 4.41Å; S112-L114 VanDerWaalsContact C-N 3.33Å; S112-L114 PolarHBondContact OG-N 2.94Å; L114-T116 VanDerWaalsContact C-N 3.34Å; L114-T116 PolarHBondContact O-N 3.35Å; L114-F117 HydrophobicContact CD1-CD1 4.19Å; L114-F117 PolarHBondContact O-N 3.44Å; L114-L118 HydrophobicContact CD1-CD1 4.23Å; L114-L118 HydrophobicContact CD1-CD2 4.33Å; L114-L118 HydrophobicContact CD1-CG 3.99Å; L114-L118 HydrophobicContact CG-CD1 4.05Å; L114-L118 HydrophobicContact CG-CG 4.25Å; L114-L118 WeakPolarHBondContact O-CB 3.34Å; L114-L118 VanDerWaalsContact O-CG 3.23Å; L114-L118 WeakPolarHBondContact O-CG 3.41Å; L114-L118 PolarHBondContact O-N 3.45Å
115K98.1Very high96.7Very high82 Ų8255.7 Ų55.736%0.35734%0.336SS..Hα-helixtrans-59.2-47.6175.1-174.4179176.7-64.90111.3F108 S112 F117 L118 D119F108-K115 HydrophobicContact CB-CB 3.92Å; F108-K115 HydrophobicContact CB-CD 3.73Å; F108-K115 HydrophobicContact CB-CG 4.26Å; F108-K115 HydrophobicContact CD1-CB 3.71Å; F108-K115 HydrophobicContact CD1-CG 4.49Å; F108-K115 HydrophobicContact CD2-CB 4.44Å; F108-K115 HydrophobicContact CD2-CD 4.28Å; F108-K115 HydrophobicContact CD2-CG 4.37Å; F108-K115 HydrophobicContact CE1-CB 4.31Å; F108-K115 HydrophobicContact CG-CB 3.78Å; F108-K115 HydrophobicContact CG-CD 4.07Å; F108-K115 HydrophobicContact CG-CG 4.14Å; S112-K115 PolarHBondContact O-N 3.27Å; S112-K115 PolarHBondContact OG-N 2.75Å; K115-F117 VanDerWaalsContact C-N 3.35Å; K115-F117 PolarHBondContact O-N 2.89Å; K115-L118 PolarHBondContact O-N 3.27Å; K115-D119 IonicContact NZ-OD2 2.69Å; K115-D119 PolarHBondContact NZ-OD2 3.14Å; K115-D119 WeakPolarHBondContact O-CB 3.47Å; K115-D119 VanDerWaalsContact O-CG 3.27Å; K115-D119 PolarHBondContact O-N 3.45Å
116T98.4Very high96.7Very high66 Ų6654.1 Ų54.141%0.40533%0.334SS..Hα-helixtrans-56.6-50.1177.7-57.20000110.7S112 V113 L114 L118 D119 E120S112-T116 PolarHBondContact O-N 3.28Å; S112-T116 PolarHBondContact O-OG1 3.47Å; V113-T116 PolarHBondContact O-N 3.43Å; L114-T116 VanDerWaalsContact C-N 3.34Å; L114-T116 PolarHBondContact O-N 3.35Å; T116-L118 PolarHBondContact O-N 3.21Å; T116-D119 PolarHBondContact O-N 2.92Å; T116-E120 HydrophobicContact CG2-CG 4.37Å; T116-E120 WeakPolarHBondContact CG2-OE1 3.36Å; T116-E120 WeakPolarHBondContact O-CB 3.36Å; T116-E120 VanDerWaalsContact O-CG 3.32Å; T116-E120 WeakPolarHBondContact O-CG 3.17Å; T116-E120 PolarHBondContact O-N 2.91Å
117F98.4Very high96.6Very high0 Ų057 Ų570%035%0.35CS..Hα-helixtrans-56.1-47.9176.1173.6-99.6000112.1Y80 L82 V96 V113 L114 K115 D119 E120 T121 H132 L133 I139Y80-F117 WeakPolarHBondContact OH-CE1 3.26Å; L82-F117 HydrophobicContact CD1-CE1 4.41Å; L82-F117 HydrophobicContact CD2-CZ 4.25Å; V96-F117 HydrophobicContact CG1-CE1 4.12Å; V113-F117 WeakPolarHBondContact O-CB 3.46Å; V113-F117 PolarHBondContact O-N 2.94Å; L114-F117 HydrophobicContact CD1-CD1 4.19Å; L114-F117 PolarHBondContact O-N 3.44Å; K115-F117 VanDerWaalsContact C-N 3.35Å; K115-F117 PolarHBondContact O-N 2.89Å; F117-D119 VanDerWaalsContact C-N 3.34Å; F117-D119 PolarHBondContact O-N 2.82Å; F117-E120 PolarHBondContact O-N 3.45Å; F117-T121 HydrophobicContact CD2-CG2 4.07Å; F117-T121 HydrophobicContact CE2-CG2 3.81Å; F117-T121 HydrophobicContact CZ-CG2 4.13Å; F117-T121 WeakPolarHBondContact O-CB 3.34Å; F117-T121 VanDerWaalsContact O-CG2 3.24Å; F117-T121 WeakPolarHBondContact O-CG2 3.29Å; F117-T121 PolarHBondContact O-N 3.24Å; F117-T121 VanDerWaalsContact O-N 3.13Å; F117-T121 PolarHBondContact O-OG1 2.9Å; F117-H132 AromaticContact CD2-CD2 3.71Å; F117-H132 HydrophobicContact CE2-CB 4.28Å; F117-H132 AromaticContact CE2-CD2 3.75Å; F117-L133 HydrophobicContact CE1-CD1 4.38Å; F117-L133 HydrophobicContact CE2-CB 3.95Å; F117-L133 HydrophobicContact CE2-CD1 4.1Å; F117-L133 HydrophobicContact CZ-CB 3.84Å; F117-L133 HydrophobicContact CZ-CD1 3.92Å; F117-L133 HydrophobicContact CZ-CG 4.42Å; F117-I139 HydrophobicContact CB-CD1 3.88Å; F117-I139 HydrophobicContact CD1-CD1 4.1Å; F117-I139 HydrophobicContact CD2-CD1 3.91Å; F117-I139 HydrophobicContact CG-CD1 3.68Å
118L98.1Very high96.6Very high4 Ų458.1 Ų58.12%0.02135%0.349CS..Hα-helixtrans-66.9-31.9-179.8-66.9178.9000113.3Y80 V96 I99 A100 F108 L114 K115 T116 A122Y80-L118 HydrophobicContact CD1-CD2 4.49Å; Y80-L118 HydrophobicContact CE1-CD2 3.98Å; Y80-L118 HydrophobicContact CE2-CD2 4.07Å; V96-L118 HydrophobicContact CG1-CD2 4.12Å; I99-L118 HydrophobicContact CG2-CD1 4.22Å; A100-L118 HydrophobicContact CB-CD1 4.27Å; A100-L118 HydrophobicContact CB-CD2 3.57Å; F108-L118 HydrophobicContact CE1-CD1 4.44Å; F108-L118 HydrophobicContact CZ-CD1 4.18Å; L114-L118 HydrophobicContact CD1-CD1 4.23Å; L114-L118 HydrophobicContact CD1-CD2 4.33Å; L114-L118 HydrophobicContact CD1-CG 3.99Å; L114-L118 HydrophobicContact CG-CD1 4.05Å; L114-L118 HydrophobicContact CG-CG 4.25Å; L114-L118 WeakPolarHBondContact O-CB 3.34Å; L114-L118 VanDerWaalsContact O-CG 3.23Å; L114-L118 WeakPolarHBondContact O-CG 3.41Å; L114-L118 PolarHBondContact O-N 3.45Å; K115-L118 PolarHBondContact O-N 3.27Å; T116-L118 PolarHBondContact O-N 3.21Å; L118-A122 PolarHBondContact O-N 2.74Å
119D97.6Very high96.5Very high72 Ų7257.6 Ų57.639%0.38535%0.346SS..Hα-helixtrans-72.9-45.6176.8-71.5-18.7000111K103 K115 T116 F117 T121K103-D119 IonicContact NZ-OD1 2.7Å; K103-D119 PolarHBondContact NZ-OD1 3.43Å; K115-D119 IonicContact NZ-OD2 2.69Å; K115-D119 PolarHBondContact NZ-OD2 3.14Å; K115-D119 WeakPolarHBondContact O-CB 3.47Å; K115-D119 VanDerWaalsContact O-CG 3.27Å; K115-D119 PolarHBondContact O-N 3.45Å; T116-D119 PolarHBondContact O-N 2.92Å; F117-D119 VanDerWaalsContact C-N 3.34Å; F117-D119 PolarHBondContact O-N 2.82Å; D119-T121 VanDerWaalsContact C-N 3.27Å; D119-T121 PolarHBondContact O-N 2.72Å
120E97.8Very high96.4Very high104 Ų10452.9 Ų52.949%0.48632%0.324SS..Hα-helixtrans-62.3-34.7178.8-72.8174.617200112.7T116 F117 H132T116-E120 HydrophobicContact CG2-CG 4.37Å; T116-E120 WeakPolarHBondContact CG2-OE1 3.36Å; T116-E120 WeakPolarHBondContact O-CB 3.36Å; T116-E120 VanDerWaalsContact O-CG 3.32Å; T116-E120 WeakPolarHBondContact O-CG 3.17Å; T116-E120 PolarHBondContact O-N 2.91Å; F117-E120 PolarHBondContact O-N 3.45Å; E120-H132 IonicContact OE2-CD2 3.8Å; E120-H132 IonicContact OE2-CE1 2.65Å; E120-H132 IonicContact OE2-NE2 2.8Å; E120-H132 PolarHBondContact OE2-NE2 2.86Å
121T97.5Very high96.4Very high0 Ų051.4 Ų51.40%031%0.309CS..THydrogen-bonded Turntrans-101.92.5-170.560.50000113.7Y80 F117 D119 G123 M124 R129 H132Y80-T121 PolarHBondContact OH-OG1 3.4Å; F117-T121 HydrophobicContact CD2-CG2 4.07Å; F117-T121 HydrophobicContact CE2-CG2 3.81Å; F117-T121 HydrophobicContact CZ-CG2 4.13Å; F117-T121 WeakPolarHBondContact O-CB 3.34Å; F117-T121 VanDerWaalsContact O-CG2 3.24Å; F117-T121 WeakPolarHBondContact O-CG2 3.29Å; F117-T121 PolarHBondContact O-N 3.24Å; F117-T121 VanDerWaalsContact O-N 3.13Å; F117-T121 PolarHBondContact O-OG1 2.9Å; D119-T121 VanDerWaalsContact C-N 3.27Å; D119-T121 PolarHBondContact O-N 2.72Å; T121-G123 VanDerWaalsContact C-N 3.29Å; T121-G123 PolarHBondContact O-N 2.88Å; T121-M124 HydrophobicContact CG2-CE 4.5Å; T121-M124 HydrophobicContact CG2-SD 3.86Å; T121-M124 WeakPolarHBondContact O-CB 3.24Å; T121-M124 PolarHBondContact O-N 3.15Å; T121-M124 VanDerWaalsContact O-N 3.13Å; T121-R129 PolarHBondContact O-NE 3.49Å; T121-H132 HydrophobicContact CG2-CB 3.92Å; T121-H132 WeakPolarHBondContact CG2-CD2 3.36Å
122A95.4Very high96.4Very high56 Ų5651 Ų5146%0.46329%0.288SS..THydrogen-bonded Turntrans-55.9-42.8-176.300000112.5L118 R129L118-A122 PolarHBondContact O-N 2.74Å; A122-R129 PolarHBondContact O-NH2 3.03Å
123G94.4Very high96.2Very high85 Ų8551 Ų5188%0.87629%0.288SS*.THydrogen-bonded Turntrans-89.10.1-179.200000115.7T121T121-G123 VanDerWaalsContact C-N 3.29Å; T121-G123 PolarHBondContact O-N 2.88Å
124M95.6Very high95.9Very high59 Ų5952.2 Ų52.229%0.29129%0.291SS..SBendtrans-84.6152.6-175.8-69.4-177.8-174.300112.3T121 E128 R129 H132T121-M124 HydrophobicContact CG2-CE 4.5Å; T121-M124 HydrophobicContact CG2-SD 3.86Å; T121-M124 WeakPolarHBondContact O-CB 3.24Å; T121-M124 PolarHBondContact O-N 3.15Å; T121-M124 VanDerWaalsContact O-N 3.13Å; M124-E128 HydrophobicContact CB-CB 3.82Å; M124-E128 HydrophobicContact CG-CB 4.19Å; M124-E128 HydrophobicContact SD-CB 4.21Å; M124-R129 HydrophobicContact CB-CG 3.66Å; M124-R129 PolarHBondContact O-NE 3.34Å; M124-R129 PolarHBondContact O-NH2 3.44Å; M124-H132 HydrophobicContact SD-CB 4.38Å
125S94.3Very high95.5Very high48 Ų4854.8 Ų54.834%0.33632%0.318SS..  trans-67.4158.5167.765.60000111.6D127 E128 R129S125-D127 PolarHBondContact O-N 3.34Å; S125-D127 VanDerWaalsContact O-N 3.17Å; S125-E128 VanDerWaalsContact CB-OE2 3.31Å; S125-E128 WeakPolarHBondContact CB-OE2 3.46Å; S125-E128 PolarHBondContact N-OE2 3.42Å; S125-E128 PolarHBondContact O-N 2.89Å; S125-E128 VanDerWaalsContact OG-CD 3.25Å; S125-E128 VanDerWaalsContact OG-CG 3.29Å; S125-E128 WeakPolarHBondContact OG-CG 3.42Å; S125-E128 PolarHBondContact OG-N 2.95Å; S125-E128 PolarHBondContact OG-OE2 3.11Å; S125-R129 VanDerWaalsContact O-CG 3.29Å; S125-R129 WeakPolarHBondContact O-CG 3.47Å; S125-R129 PolarHBondContact O-N 3.36Å
126P94.6Very high95.4Very high41 Ų4152.1 Ų52.127%0.26631%0.307SS..Hα-helixtrans-52.2-39177.2-30.937.6000115F81 R129 S130F81-P126 HydrophobicContact CD1-CB 3.91Å; F81-P126 HydrophobicContact CD1-CG 4.21Å; P126-R129 PolarHBondContact O-N 2.7Å; P126-S130 WeakPolarHBondContact O-CB 3.24Å; P126-S130 PolarHBondContact O-N 3.32Å; P126-S130 PolarHBondContact O-OG 3.29Å; P126-S130 VanDerWaalsContact O-OG 3.07Å
127D93.4Very high95.3Very high76 Ų7655.8 Ų55.841%0.40632%0.318SS..Hα-helixtrans-67.6-38.9178.2-69.9-58000112.1K83 S125 K131K83-D127 VanDerWaalsContact CD-OD1 3.29Å; K83-D127 WeakPolarHBondContact CD-OD1 3.05Å; K83-D127 WeakPolarHBondContact CE-OD1 3.37Å; K83-D127 IonicContact NZ-OD1 3.43Å; K83-D127 PolarHBondContact NZ-OD1 3.45Å; K83-D127 IonicContact NZ-OD2 2.69Å; K83-D127 PolarHBondContact NZ-OD2 3.48Å; S125-D127 PolarHBondContact O-N 3.34Å; S125-D127 VanDerWaalsContact O-N 3.17Å; D127-K131 WeakPolarHBondContact O-CG 3.34Å; D127-K131 PolarHBondContact O-N 2.95Å; D127-K131 VanDerWaalsContact O-N 3.08Å
128E95.4Very high95.2Very high102 Ų10257.6 Ų57.648%0.47733%0.333SS..Hα-helixtrans-69.2-43.1175.3-71.9165141.200111.6M124 S125 S130 K131 H132M124-E128 HydrophobicContact CB-CB 3.82Å; M124-E128 HydrophobicContact CG-CB 4.19Å; M124-E128 HydrophobicContact SD-CB 4.21Å; S125-E128 VanDerWaalsContact CB-OE2 3.31Å; S125-E128 WeakPolarHBondContact CB-OE2 3.46Å; S125-E128 PolarHBondContact N-OE2 3.42Å; S125-E128 PolarHBondContact O-N 2.89Å; S125-E128 VanDerWaalsContact OG-CD 3.25Å; S125-E128 VanDerWaalsContact OG-CG 3.29Å; S125-E128 WeakPolarHBondContact OG-CG 3.42Å; S125-E128 PolarHBondContact OG-N 2.95Å; S125-E128 PolarHBondContact OG-OE2 3.11Å; E128-S130 VanDerWaalsContact C-N 3.29Å; E128-S130 PolarHBondContact O-N 2.94Å; E128-K131 PolarHBondContact O-N 3.32Å; E128-H132 WeakPolarHBondContact O-CB 3.36Å; E128-H132 PolarHBondContact O-N 3.46Å
129R96.6Very high95.1Very high25 Ų2557.5 Ų57.59%0.09433%0.332CS..Hα-helixtrans-58-43.4175-63.6-179.8173.1149.71111.3F81 L82 T121 A122 M124 S125 P126 H132 L133F81-R129 WeakPolarHBondContact O-CD 3.38Å; L82-R129 VanDerWaalsContact CD2-C 3.41Å; L82-R129 HydrophobicContact CD2-CB 3.45Å; L82-R129 VanDerWaalsContact CD2-CB 3.45Å; L82-R129 WeakPolarHBondContact CD2-O 3.46Å; L82-R129 HydrophobicContact CG-CB 4.45Å; T121-R129 PolarHBondContact O-NE 3.49Å; A122-R129 PolarHBondContact O-NH2 3.03Å; M124-R129 HydrophobicContact CB-CG 3.66Å; M124-R129 PolarHBondContact O-NE 3.34Å; M124-R129 PolarHBondContact O-NH2 3.44Å; S125-R129 VanDerWaalsContact O-CG 3.29Å; S125-R129 WeakPolarHBondContact O-CG 3.47Å; S125-R129 PolarHBondContact O-N 3.36Å; P126-R129 PolarHBondContact O-N 2.7Å; R129-H132 PolarHBondContact O-N 3.31Å; R129-L133 PolarHBondContact O-N 3.19Å
130S94.4Very high95Very high1 Ų154.3 Ų54.31%0.00732%0.315CS..Hα-helixtrans-64.1-45.6177.4-71.20000112.5K83 P126 E128 H132 L133 E134K83-S130 WeakPolarHBondContact CA-OG 3.41Å; K83-S130 PolarHBondContact N-OG 3.47Å; K83-S130 WeakPolarHBondContact O-CB 3.43Å; K83-S130 PolarHBondContact O-OG 3.14Å; P126-S130 WeakPolarHBondContact O-CB 3.24Å; P126-S130 PolarHBondContact O-N 3.32Å; P126-S130 PolarHBondContact O-OG 3.29Å; P126-S130 VanDerWaalsContact O-OG 3.07Å; E128-S130 VanDerWaalsContact C-N 3.29Å; E128-S130 PolarHBondContact O-N 2.94Å; S130-H132 VanDerWaalsContact C-N 3.28Å; S130-H132 PolarHBondContact O-N 2.8Å; S130-L133 WeakPolarHBondContact O-CB 3.24Å; S130-L133 PolarHBondContact O-N 3.05Å; S130-E134 WeakPolarHBondContact O-CG 3.31Å; S130-E134 PolarHBondContact O-N 2.94Å
131K93.9Very high94.9Very high143 Ų14355.5 Ų55.562%0.62232%0.321SS*.Hα-helixtrans-61.8-37.1174.2-72.8172-177.3174.50112.1D127 E128 L133 E134 G135D127-K131 WeakPolarHBondContact O-CG 3.34Å; D127-K131 PolarHBondContact O-N 2.95Å; D127-K131 VanDerWaalsContact O-N 3.08Å; E128-K131 PolarHBondContact O-N 3.32Å; K131-L133 VanDerWaalsContact C-N 3.35Å; K131-E134 PolarHBondContact O-N 3.39Å; K131-G135 PolarHBondContact O-N 3.16Å; K131-G135 VanDerWaalsContact O-N 3.1Å
132H95.3Very high94.9Very high63 Ų6356.4 Ų56.429%0.29233%0.326SS..Hα-helixtrans-65.6-40175.8-157.474.5000111.3F117 E120 T121 M124 E128 R129 S130 G135 N136F117-H132 AromaticContact CD2-CD2 3.71Å; F117-H132 HydrophobicContact CE2-CB 4.28Å; F117-H132 AromaticContact CE2-CD2 3.75Å; E120-H132 IonicContact OE2-CD2 3.8Å; E120-H132 IonicContact OE2-CE1 2.65Å; E120-H132 IonicContact OE2-NE2 2.8Å; E120-H132 PolarHBondContact OE2-NE2 2.86Å; T121-H132 HydrophobicContact CG2-CB 3.92Å; T121-H132 WeakPolarHBondContact CG2-CD2 3.36Å; M124-H132 HydrophobicContact SD-CB 4.38Å; E128-H132 WeakPolarHBondContact O-CB 3.36Å; E128-H132 PolarHBondContact O-N 3.46Å; R129-H132 PolarHBondContact O-N 3.31Å; S130-H132 VanDerWaalsContact C-N 3.28Å; S130-H132 PolarHBondContact O-N 2.8Å; H132-G135 PolarHBondContact O-N 2.89Å; H132-N136 WeakPolarHBondContact O-CB 3.49Å; H132-N136 PolarHBondContact O-N 3.46Å; H132-N136 VanDerWaalsContact O-N 3.09Å
133L95.3Very high94.9Very high4 Ų453.8 Ų53.82%0.02131%0.305CS..Hα-helixtrans-63.4-42.3174.1-174.666.1000111.7W6 L82 I93 F117 R129 S130 K131 G135 N136 I139W6-L133 HydrophobicContact CH2-CD1 4.44Å; W6-L133 HydrophobicContact CH2-CG 4.39Å; W6-L133 HydrophobicContact CZ2-CG 4.44Å; L82-L133 HydrophobicContact CD1-CD2 4.19Å; L82-L133 HydrophobicContact CD2-CB 4.5Å; I93-L133 HydrophobicContact CD1-CD2 4.48Å; I93-L133 HydrophobicContact CG1-CD2 3.82Å; F117-L133 HydrophobicContact CE1-CD1 4.38Å; F117-L133 HydrophobicContact CE2-CB 3.95Å; F117-L133 HydrophobicContact CE2-CD1 4.1Å; F117-L133 HydrophobicContact CZ-CB 3.84Å; F117-L133 HydrophobicContact CZ-CD1 3.92Å; F117-L133 HydrophobicContact CZ-CG 4.42Å; R129-L133 PolarHBondContact O-N 3.19Å; S130-L133 WeakPolarHBondContact O-CB 3.24Å; S130-L133 PolarHBondContact O-N 3.05Å; K131-L133 VanDerWaalsContact C-N 3.35Å; L133-G135 PolarHBondContact O-N 2.82Å; L133-N136 WeakPolarHBondContact O-CB 3.39Å; L133-N136 PolarHBondContact O-N 2.73Å; L133-I139 HydrophobicContact CD1-CB 4.37Å; L133-I139 HydrophobicContact CD1-CD1 3.75Å; L133-I139 HydrophobicContact CD1-CG2 3.93Å
134E90.7Very high94.9Very high65 Ų6551 Ų5130%0.30427%0.27SS..Hα-helixtrans-63.2-26.9175.4-72.6-176.6139.600114.1M4 V85 S130 K131M4-E134 WeakPolarHBondContact CE-O 3.46Å; V85-E134 HydrophobicContact CB-CG 4.23Å; V85-E134 WeakPolarHBondContact CB-OE1 3.36Å; V85-E134 HydrophobicContact CG2-CG 3.24Å; V85-E134 WeakPolarHBondContact CG2-OE1 3.43Å; S130-E134 WeakPolarHBondContact O-CG 3.31Å; S130-E134 PolarHBondContact O-N 2.94Å; K131-E134 PolarHBondContact O-N 3.39Å
135G90.8Very high94.8Very high55 Ų5552.5 Ų52.557%0.56728%0.276SS*.Hα-helixtrans-87.9-10.4174.100000113.7K131 H132 L133 K137K131-G135 PolarHBondContact O-N 3.16Å; K131-G135 VanDerWaalsContact O-N 3.1Å; H132-G135 PolarHBondContact O-N 2.89Å; L133-G135 PolarHBondContact O-N 2.82Å; G135-K137 PolarHBondContact O-N 3.32Å; G135-K137 VanDerWaalsContact O-N 3.07Å
136N95.2Very high94.8Very high26 Ų2650.2 Ų50.214%0.13926%0.26CS..  trans-83.388.7-172.9-164.9-52.5000112.1M4 H132 L133 A138 I139 C140M4-N136 VanDerWaalsContact CE-C 3.42Å; M4-N136 WeakPolarHBondContact CE-O 3.37Å; H132-N136 WeakPolarHBondContact O-CB 3.49Å; H132-N136 PolarHBondContact O-N 3.46Å; H132-N136 VanDerWaalsContact O-N 3.09Å; L133-N136 WeakPolarHBondContact O-CB 3.39Å; L133-N136 PolarHBondContact O-N 2.73Å; N136-A138 VanDerWaalsContact C-N 3.28Å; N136-A138 PolarHBondContact O-N 2.95Å; N136-A138 PolarHBondContact OD1-N 3.37Å; N136-I139 HydrophobicContact CB-CB 4.39Å; N136-I139 HydrophobicContact CB-CD1 4.24Å; N136-I139 HydrophobicContact CB-CG1 4.44Å; N136-I139 PolarHBondContact O-N 3.4Å; N136-I139 WeakPolarHBondContact OD1-CG1 3.39Å; N136-I139 PolarHBondContact OD1-N 3.06Å; N136-C140 PolarHBondContact O-N 3.15Å; N136-C140 VanDerWaalsContact O-N 3.14Å
137K95.6Very high94.6Very high142 Ų14248.5 Ų48.562%0.61725%0.249SC*.Hα-helixtrans-54.1-42178.2-69.9-178.2177.8-174.50113.3M4 G135 I139 C140 E141M4-K137 VanDerWaalsContact SD-CA 3.58Å; M4-K137 HydrophobicContact SD-CB 4.14Å; M4-K137 HydrophobicContact SD-CG 3.57Å; M4-K137 VanDerWaalsContact SD-CG 3.57Å; G135-K137 PolarHBondContact O-N 3.32Å; G135-K137 VanDerWaalsContact O-N 3.07Å; K137-I139 PolarHBondContact O-N 3.21Å; K137-C140 PolarHBondContact O-N 3.42Å; K137-E141 VanDerWaalsContact O-CB 3.31Å; K137-E141 WeakPolarHBondContact O-CB 3.45Å; K137-E141 VanDerWaalsContact O-CG 3.25Å; K137-E141 WeakPolarHBondContact O-CG 3.37Å; K137-E141 PolarHBondContact O-N 3.1Å
138A96.6Very high94.4Very high38 Ų3852.8 Ų52.831%0.31426%0.264SS..Hα-helixtrans-63.3-43.5-176.800000112.2V113 N136 V142V113-A138 HydrophobicContact CG1-CB 3.65Å; V113-A138 HydrophobicContact CG2-CB 4.23Å; N136-A138 VanDerWaalsContact C-N 3.28Å; N136-A138 PolarHBondContact O-N 2.95Å; N136-A138 PolarHBondContact OD1-N 3.37Å; A138-V142 WeakPolarHBondContact O-CG2 3.4Å; A138-V142 PolarHBondContact O-N 3.07Å; A138-V142 VanDerWaalsContact O-N 3.11Å
139I97.1Very high94.1Very high2 Ų252.1 Ų52.11%0.0126%0.261CS..Hα-helixtrans-66.8-43.7176.6-65173.5000110.8W6 L23 T92 V113 F117 L133 N136 K137 V142 H143W6-I139 HydrophobicContact CH2-CG2 4.07Å; L23-I139 HydrophobicContact CD2-CB 4.41Å; L23-I139 HydrophobicContact CD2-CG1 3.97Å; L23-I139 HydrophobicContact CD2-CG2 4.47Å; T92-I139 HydrophobicContact CG2-CG2 3.82Å; V113-I139 HydrophobicContact CG1-CG1 3.74Å; F117-I139 HydrophobicContact CB-CD1 3.88Å; F117-I139 HydrophobicContact CD1-CD1 4.1Å; F117-I139 HydrophobicContact CD2-CD1 3.91Å; F117-I139 HydrophobicContact CG-CD1 3.68Å; L133-I139 HydrophobicContact CD1-CB 4.37Å; L133-I139 HydrophobicContact CD1-CD1 3.75Å; L133-I139 HydrophobicContact CD1-CG2 3.93Å; N136-I139 HydrophobicContact CB-CB 4.39Å; N136-I139 HydrophobicContact CB-CD1 4.24Å; N136-I139 HydrophobicContact CB-CG1 4.44Å; N136-I139 PolarHBondContact O-N 3.4Å; N136-I139 WeakPolarHBondContact OD1-CG1 3.39Å; N136-I139 PolarHBondContact OD1-N 3.06Å; K137-I139 PolarHBondContact O-N 3.21Å; I139-V142 PolarHBondContact O-N 2.96Å; I139-H143 WeakPolarHBondContact O-CB 3.32Å; I139-H143 PolarHBondContact O-N 3.4Å
140C95.8Very high93.2Very high5 Ų551.7 Ų51.73%0.03426%0.264CS..Hα-helixtrans-64.7-40.3179.4-175.40000112.3M4 W6 N136 K137 H143 N144M4-C140 HydrophobicContact CE-CB 3.62Å; M4-C140 HydrophobicContact SD-CB 3.87Å; W6-C140 HydrophobicContact CH2-CB 4.42Å; W6-C140 HydrophobicContact CZ2-CB 4.12Å; N136-C140 PolarHBondContact O-N 3.15Å; N136-C140 VanDerWaalsContact O-N 3.14Å; K137-C140 PolarHBondContact O-N 3.42Å; C140-H143 PolarHBondContact O-N 3.26Å; C140-N144 WeakPolarHBondContact O-CB 3.44Å; C140-N144 PolarHBondContact O-N 2.88Å; C140-N144 PolarHBondContact O-ND2 3.48Å
141E95.9Very high92Very high129 Ų12959.8 Ų59.860%0.60330%0.302SS*.Hα-helixtrans-63.1-45.4175.7-76.8170.7-17900111.6K137 H143 N144 E145K137-E141 VanDerWaalsContact O-CB 3.31Å; K137-E141 WeakPolarHBondContact O-CB 3.45Å; K137-E141 VanDerWaalsContact O-CG 3.25Å; K137-E141 WeakPolarHBondContact O-CG 3.37Å; K137-E141 PolarHBondContact O-N 3.1Å; E141-H143 PolarHBondContact O-N 3.46Å; E141-N144 PolarHBondContact O-N 3.01Å; E141-E145 WeakPolarHBondContact O-CB 3.4Å; E141-E145 PolarHBondContact O-N 3.19Å
142V96.6Very high90.6Very high19 Ų1955.9 Ų55.912%0.11529%0.293CS..Hα-helixtrans-61.5-44.7175168.20000111.3K22 L23 A138 I139 N144 E145 V146K22-V142 HydrophobicContact CB-CG1 3.52Å; K22-V142 HydrophobicContact CB-CG2 4.2Å; K22-V142 HydrophobicContact CD-CG1 4.19Å; L23-V142 HydrophobicContact CD2-CB 4.04Å; L23-V142 HydrophobicContact CD2-CG1 4Å; L23-V142 HydrophobicContact CD2-CG2 4.19Å; L23-V142 HydrophobicContact CG-CG1 4.04Å; A138-V142 WeakPolarHBondContact O-CG2 3.4Å; A138-V142 PolarHBondContact O-N 3.07Å; A138-V142 VanDerWaalsContact O-N 3.11Å; I139-V142 PolarHBondContact O-N 2.96Å; V142-N144 PolarHBondContact O-N 2.85Å; V142-E145 PolarHBondContact O-N 3.48Å; V142-V146 WeakPolarHBondContact O-CG2 3.24Å; V142-V146 PolarHBondContact O-N 3.27Å; V142-V146 VanDerWaalsContact O-N 3.08Å
143H95.1Very high89Confident1 Ų163.6 Ų63.61%0.00532%0.319CS..Hα-helixtrans-56.9-51.4175.3171.2102.6000111.1W6 T7 N88 T92 I139 C140 E141 E145 V146 A147W6-H143 HydrophobicContact CE3-CB 4Å; W6-H143 AromaticContact CE3-CD2 3.61Å; W6-H143 AromaticContact CE3-CE1 3.83Å; W6-H143 AromaticContact CE3-CG 3.5Å; W6-H143 AromaticContact CE3-ND1 3.64Å; W6-H143 AromaticContact CE3-NE2 3.81Å; W6-H143 HydrophobicContact CZ3-CB 3.82Å; W6-H143 AromaticContact CZ3-CG 3.74Å; W6-H143 AromaticContact CZ3-ND1 3.82Å; T7-H143 PolarHBondContact O-NE2 2.86Å; N88-H143 PolarHBondContact O-CE1 3.43Å; T92-H143 PolarHBondContact OG1-ND1 2.73Å; I139-H143 WeakPolarHBondContact O-CB 3.32Å; I139-H143 PolarHBondContact O-N 3.4Å; C140-H143 PolarHBondContact O-N 3.26Å; E141-H143 PolarHBondContact O-N 3.46Å; H143-E145 VanDerWaalsContact C-N 3.33Å; H143-E145 PolarHBondContact O-N 3.37Å; H143-V146 PolarHBondContact O-N 3.24Å; H143-A147 VanDerWaalsContact O-CB 3.29Å; H143-A147 WeakPolarHBondContact O-CB 3.46Å; H143-A147 PolarHBondContact O-N 2.8Å
144N94Very high87.3Confident28 Ų2871.7 Ų71.715%0.1536%0.359CS..Hα-helixtrans-67.7-31.4-177.8-76.9-25.4000113E5 T7 C140 E141 V142 K148E5-N144 PolarHBondContact O-ND2 2.92Å; T7-N144 VanDerWaalsContact CB-OD1 3.26Å; T7-N144 WeakPolarHBondContact CB-OD1 3.41Å; T7-N144 PolarHBondContact N-OD1 2.94Å; T7-N144 PolarHBondContact OG1-OD1 3.33Å; C140-N144 WeakPolarHBondContact O-CB 3.44Å; C140-N144 PolarHBondContact O-N 2.88Å; C140-N144 PolarHBondContact O-ND2 3.48Å; E141-N144 PolarHBondContact O-N 3.01Å; V142-N144 PolarHBondContact O-N 2.85Å; N144-K148 WeakPolarHBondContact O-CD 3.31Å; N144-K148 VanDerWaalsContact O-CG 3.26Å; N144-K148 WeakPolarHBondContact O-CG 3.25Å; N144-K148 PolarHBondContact O-N 2.65Å
145E94.6Very high85.8Confident89 Ų8972.9 Ų72.942%0.41637%0.365SS..Hα-helixtrans-64.5-51.2173.5-170.5-170.117400110.5K22 E141 V142 H143 A147 K148K22-E145 IonicContact NZ-OE1 3.17Å; K22-E145 PolarHBondContact NZ-OE1 3.38Å; K22-E145 IonicContact NZ-OE2 3.23Å; K22-E145 PolarHBondContact NZ-OE2 3.32Å; E141-E145 WeakPolarHBondContact O-CB 3.4Å; E141-E145 PolarHBondContact O-N 3.19Å; V142-E145 PolarHBondContact O-N 3.48Å; H143-E145 VanDerWaalsContact C-N 3.33Å; H143-E145 PolarHBondContact O-N 3.37Å; E145-A147 VanDerWaalsContact C-N 3.35Å; E145-A147 PolarHBondContact O-N 3.43Å; E145-K148 WeakPolarHBondContact O-CB 3.34Å; E145-K148 PolarHBondContact O-N 2.91Å
146V94.1Very high84.2Confident0 Ų074 Ų740%036%0.362CS..Hα-helixtrans-67.1-37.5179.7178.70000111.5M9 M15 K18 I19 K22 V142 H143 K148 E149 G150M9-V146 HydrophobicContact SD-CB 4.3Å; M9-V146 HydrophobicContact SD-CG1 3.94Å; M15-V146 HydrophobicContact CB-CG1 3.93Å; M15-V146 HydrophobicContact CG-CG1 4.29Å; M15-V146 HydrophobicContact SD-CG1 3.58Å; M15-V146 VanDerWaalsContact SD-CG1 3.58Å; K18-V146 HydrophobicContact CB-CG1 4.12Å; K18-V146 HydrophobicContact CB-CG2 4.07Å; I19-V146 HydrophobicContact CD1-CB 4.39Å; I19-V146 HydrophobicContact CD1-CG1 4.43Å; I19-V146 HydrophobicContact CG1-CB 3.83Å; I19-V146 HydrophobicContact CG1-CG1 3.96Å; I19-V146 HydrophobicContact CG1-CG2 3.75Å; K22-V146 HydrophobicContact CD-CG2 3.7Å; V142-V146 WeakPolarHBondContact O-CG2 3.24Å; V142-V146 PolarHBondContact O-N 3.27Å; V142-V146 VanDerWaalsContact O-N 3.08Å; H143-V146 PolarHBondContact O-N 3.24Å; V146-K148 PolarHBondContact O-N 2.99Å; V146-E149 WeakPolarHBondContact O-CB 3.36Å; V146-E149 PolarHBondContact O-N 2.94Å; V146-G150 PolarHBondContact O-N 3.03Å
147A90.8Very high82.3Confident5 Ų581.9 Ų81.94%0.04140%0.398CS..Hα-helixtrans-56.4-35.6175.800000112.8T7 M9 H143 E145 E149 G150T7-A147 HydrophobicContact CG2-CB 3.92Å; M9-A147 HydrophobicContact CB-CB 3.75Å; M9-A147 HydrophobicContact CG-CB 4.12Å; M9-A147 HydrophobicContact SD-CB 4.5Å; H143-A147 VanDerWaalsContact O-CB 3.29Å; H143-A147 WeakPolarHBondContact O-CB 3.46Å; H143-A147 PolarHBondContact O-N 2.8Å; E145-A147 VanDerWaalsContact C-N 3.35Å; E145-A147 PolarHBondContact O-N 3.43Å; A147-E149 VanDerWaalsContact C-N 3.32Å; A147-G150 PolarHBondContact O-N 3.03Å
148K89.2Confident80.1Confident166 Ų16679.2 Ų79.272%0.72241%0.41SS*.Hα-helixtrans-72.3-23.1177.5-71166.7-174.6176.10113.6N144 E145 V146N144-K148 WeakPolarHBondContact O-CD 3.31Å; N144-K148 VanDerWaalsContact O-CG 3.26Å; N144-K148 WeakPolarHBondContact O-CG 3.25Å; N144-K148 PolarHBondContact O-N 2.65Å; E145-K148 WeakPolarHBondContact O-CB 3.34Å; E145-K148 PolarHBondContact O-N 2.91Å; V146-K148 PolarHBondContact O-N 2.99Å
149E87.6Confident78.2Confident88 Ų8883.3 Ų83.341%0.41142%0.423SS..Hα-helixtrans-81.3-26.7175.7-63.8-178.7-150.300112.3K18 V146 A147K18-E149 WeakPolarHBondContact CD-OE2 3.46Å; K18-E149 WeakPolarHBondContact CE-OE2 2.86Å; K18-E149 IonicContact NZ-OE2 3.64Å; K18-E149 PolarHBondContact NZ-OE2 2.63Å; V146-E149 WeakPolarHBondContact O-CB 3.36Å; V146-E149 PolarHBondContact O-N 2.94Å; A147-E149 VanDerWaalsContact C-N 3.32Å
150G78.4Confident76.6Confident16 Ų1689.8 Ų89.817%0.16545%0.453CS..SBendtrans-65.5157.717900000112.7V146 A147 C152V146-G150 PolarHBondContact O-N 3.03Å; A147-G150 PolarHBondContact O-N 3.03Å; G150-C152 PolarHBondContact O-N 3.37Å
151Q69.1Low75.1Confident171 Ų17191.3 Ų91.380%0.79946%0.462SS*.  trans-90.128.8179.5-60.4-176.8700111.8E10 R153E10-Q151 PolarHBondContact OE2-N 3.03Å; Q151-R153 PolarHBondContact O-N 3.27Å
152C65.7Low74.4Confident62 Ų6289.1 Ų89.142%0.41946%0.455SS..  trans-68.499.4-177.7-164.10000109.7E10 G150 M154E10-C152 HydrophobicContact CB-CB 4.15Å; G150-C152 PolarHBondContact O-N 3.37Å; C152-M154 PolarHBondContact O-N 2.97Å
153R61.5Low74Confident224 Ų22491.9 Ų91.985%0.84547%0.465SS*.PPolyproline II helixtrans-74.8123.5172.5-63.4-175.8-177.1-173.20.8108.2Q151 Q155Q151-R153 PolarHBondContact O-N 3.27Å; R153-Q155 PolarHBondContact O-N 2.98Å; R153-Q155 VanDerWaalsContact O-N 3.11Å
154M60.1Low73.8Confident175 Ų17591.9 Ų91.986%0.86247%0.465SS*.PPolyproline II helixtrans-57.1119.2164.2-85.5-179.7167.600108.1C152C152-M154 PolarHBondContact O-N 2.97Å
155Q59Low73.8Confident90 Ų9090.9 Ų90.942%0.42146%0.46SS..PPolyproline II helixtrans-75.2150.4173-69.8-173.2-37.600109.7R153 E159 Q160R153-Q155 PolarHBondContact O-N 2.98Å; R153-Q155 VanDerWaalsContact O-N 3.11Å; Q155-E159 HydrophobicContact CB-CB 4.36Å; Q155-E159 PolarHBondContact OE1-O 2.8Å; Q155-Q160 HydrophobicContact CB-CG 4.43Å
156P56.7Low73.8Confident79 Ų7986.7 Ų86.751%0.51344%0.44SS..PPolyproline II helixtrans-51.6148.7172.2-22.632.2000111.6G158 E159P156-G158 PolarHBondContact O-N 3.08Å; P156-E159 PolarHBondContact O-N 3.09Å
157E54Low74Confident191 Ų19186.7 Ų86.789%0.89344%0.44SS*.THydrogen-bonded Turntrans-54.4128171.3-71.3-178.1173.700109.8
158G50.6Low74.4Confident85 Ų8586.4 Ų86.488%0.87644%0.438SS*.THydrogen-bonded Turntrans98.2-14.4-175.900000115.7P156P156-G158 PolarHBondContact O-N 3.08Å
159E56.3Low74.8Confident125 Ų12578.5 Ų78.558%0.58440%0.404SS*.THydrogen-bonded Turntrans-105.2-4174.5-69.2-177.3-167.900113.3Q155 P156 V161Q155-E159 HydrophobicContact CB-CB 4.36Å; Q155-E159 PolarHBondContact OE1-O 2.8Å; P156-E159 PolarHBondContact O-N 3.09Å; E159-V161 PolarHBondContact O-N 3.5Å; E159-V161 VanDerWaalsContact O-N 3.09Å
160Q64.4Low75.3Confident137 Ų13775 Ų7564%0.6439%0.388SS*.  trans-62.1111.8-178.6-71.2-178.9-0.700111.8Q155Q155-Q160 HydrophobicContact CB-CG 4.43Å
161V64.5Low76.1Confident37 Ų3775 Ų7522%0.22438%0.384CS..  trans-81.6124172.4-1750000109.1P57 E159 F163P57-V161 HydrophobicContact CB-CG1 3.7Å; E159-V161 PolarHBondContact O-N 3.5Å; E159-V161 VanDerWaalsContact O-N 3.09Å; V161-F163 VanDerWaalsContact C-N 3.27Å; V161-F163 HydrophobicContact CB-CD2 3.84Å; V161-F163 HydrophobicContact CB-CE2 3.5Å; V161-F163 HydrophobicContact CB-CZ 4.06Å; V161-F163 HydrophobicContact CG1-CD1 4.3Å; V161-F163 HydrophobicContact CG1-CD2 3.84Å; V161-F163 HydrophobicContact CG1-CE1 4.01Å; V161-F163 HydrophobicContact CG1-CE2 3.54Å; V161-F163 HydrophobicContact CG1-CG 4.23Å; V161-F163 HydrophobicContact CG1-CZ 3.62Å; V161-F163 HydrophobicContact CG2-CE2 4.26Å; V161-F163 PolarHBondContact O-N 2.89Å
162N81.2Confident77.3Confident84 Ų8473.1 Ų73.145%0.44938%0.38SS..  trans-75.478.3177.6-175.618.5000110.6L58L58-N162 WeakPolarHBondContact CB-O 3.2Å; L58-N162 PolarHBondContact N-O 2.6Å
163F87.6Confident78.8Confident76 Ų7671.4 Ų71.433%0.33337%0.372SS..EExtended strand (participates in β ladder)trans-73.6143.2175.9-77.7-67.6000112.1L55 P57 V161 R216L55-F163 HydrophobicContact CD1-CB 3.66Å; L55-F163 HydrophobicContact CD1-CD1 3.93Å; L55-F163 HydrophobicContact CD1-CG 4.12Å; L55-F163 HydrophobicContact CD2-CD1 4.43Å; L55-F163 HydrophobicContact CG-CD1 4.06Å; P57-F163 HydrophobicContact CB-CD1 4.27Å; P57-F163 HydrophobicContact CB-CE1 4.21Å; V161-F163 VanDerWaalsContact C-N 3.27Å; V161-F163 HydrophobicContact CB-CD2 3.84Å; V161-F163 HydrophobicContact CB-CE2 3.5Å; V161-F163 HydrophobicContact CB-CZ 4.06Å; V161-F163 HydrophobicContact CG1-CD1 4.3Å; V161-F163 HydrophobicContact CG1-CD2 3.84Å; V161-F163 HydrophobicContact CG1-CE1 4.01Å; V161-F163 HydrophobicContact CG1-CE2 3.54Å; V161-F163 HydrophobicContact CG1-CG 4.23Å; V161-F163 HydrophobicContact CG1-CZ 3.62Å; V161-F163 HydrophobicContact CG2-CE2 4.26Å; V161-F163 PolarHBondContact O-N 2.89Å; F163-R216 HydrophobicContact CE1-CB 3.83Å; F163-R216 HydrophobicContact CZ-CB 3.91Å
164H91.4Very high80.4Confident1 Ų163.7 Ų63.71%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-133.9142.2-178.9-16953.7000111.6L55 F56 L58 Q84 D179L55-H164 WeakPolarHBondContact CA-O 3.49Å; L55-H164 WeakPolarHBondContact CD1-O 3Å; F56-H164 HydrophobicContact CZ-CB 4.47Å; F56-H164 AromaticContact CZ-CD2 3.97Å; F56-H164 PolarHBondContact N-O 3.22Å; F56-H164 VanDerWaalsContact N-O 3.13Å; F56-H164 PolarHBondContact O-N 3.43Å; L58-H164 HydrophobicContact CB-CB 4.2Å; Q84-H164 PolarHBondContact OE1-CE1 3.32Å; H164-D179 IonicContact CD2-OD1 3.86Å; H164-D179 IonicContact CE1-OD1 2.75Å; H164-D179 PolarHBondContact CE1-OD1 3.37Å; H164-D179 IonicContact NE2-OD1 3Å; H164-D179 PolarHBondContact NE2-OD1 3.5Å; H164-D179 IonicContact NE2-OD2 2.86Å
165F92.4Very high82.2Confident8 Ų855.6 Ų55.64%0.03531%0.306CS..EExtended strand (participates in β ladder)trans-111.5134.2176.8-95.8-88000111I11 M53 L54 L55 C90 A94I11-F165 HydrophobicContact CB-CD2 4.17Å; I11-F165 HydrophobicContact CB-CE1 4.18Å; I11-F165 HydrophobicContact CB-CE2 3.28Å; I11-F165 HydrophobicContact CB-CZ 3.26Å; I11-F165 HydrophobicContact CD1-CD2 3.21Å; I11-F165 HydrophobicContact CD1-CE2 3.2Å; I11-F165 HydrophobicContact CD1-CG 4.04Å; I11-F165 HydrophobicContact CD1-CZ 4.01Å; I11-F165 HydrophobicContact CG1-CD2 4.27Å; I11-F165 HydrophobicContact CG1-CE2 3.8Å; I11-F165 HydrophobicContact CG1-CZ 4.22Å; I11-F165 HydrophobicContact CG2-CD1 4.21Å; I11-F165 HydrophobicContact CG2-CD2 4.26Å; I11-F165 HydrophobicContact CG2-CE1 3.46Å; I11-F165 VanDerWaalsContact CG2-CE1 3.46Å; I11-F165 HydrophobicContact CG2-CE2 3.54Å; I11-F165 HydrophobicContact CG2-CZ 3.05Å; M53-F165 HydrophobicContact CB-CD1 4.3Å; M53-F165 HydrophobicContact CB-CE1 4.48Å; M53-F165 HydrophobicContact CE-CD1 3.77Å; M53-F165 HydrophobicContact CE-CE1 4.14Å; L54-F165 WeakPolarHBondContact O-CA 3.29Å; L55-F165 HydrophobicContact CB-CD1 4.38Å; L55-F165 HydrophobicContact CB-CD2 4.27Å; L55-F165 HydrophobicContact CB-CE1 3.8Å; L55-F165 HydrophobicContact CB-CE2 3.64Å; L55-F165 HydrophobicContact CB-CZ 3.39Å; L55-F165 HydrophobicContact CD1-CD2 3.34Å; L55-F165 HydrophobicContact CD1-CE2 3.1Å; L55-F165 HydrophobicContact CD1-CG 4.23Å; L55-F165 HydrophobicContact CD1-CZ 3.87Å; L55-F165 HydrophobicContact CD2-CE2 3.61Å; L55-F165 HydrophobicContact CD2-CZ 3.79Å; L55-F165 HydrophobicContact CG-CD2 4.24Å; L55-F165 HydrophobicContact CG-CE2 3.57Å; L55-F165 HydrophobicContact CG-CZ 3.83Å; C90-F165 HydrophobicContact CB-CB 4.25Å; A94-F165 HydrophobicContact CB-CB 4.15Å
166I96.1Very high84Confident0 Ų053 Ų530%029%0.293CS..EExtended strand (participates in β ladder)trans-128.4155.1170.664.9179.2000109.7M53 L54 F56 F168 E177 F178 D179 F207M53-I166 VanDerWaalsContact CA-O 3.29Å; M53-I166 WeakPolarHBondContact CA-O 3.5Å; L54-I166 HydrophobicContact CB-CG1 4.01Å; L54-I166 HydrophobicContact CD2-CD1 4.3Å; L54-I166 PolarHBondContact N-O 3.08Å; L54-I166 PolarHBondContact O-N 2.88Å; L54-I166 VanDerWaalsContact O-N 3.08Å; F56-I166 HydrophobicContact CE1-CD1 3.75Å; F56-I166 HydrophobicContact CE1-CG1 3.93Å; F56-I166 HydrophobicContact CE1-CG2 3.99Å; F56-I166 HydrophobicContact CZ-CD1 4.41Å; F56-I166 HydrophobicContact CZ-CG2 4.4Å; I166-F168 HydrophobicContact CD1-CE2 3.69Å; I166-F168 HydrophobicContact CD1-CZ 3.56Å; I166-F168 HydrophobicContact CG1-CE2 3.84Å; I166-F168 HydrophobicContact CG1-CZ 4.21Å; I166-E177 HydrophobicContact CD1-CG 4.15Å; I166-F178 WeakPolarHBondContact CA-O 3.04Å; I166-D179 HydrophobicContact CB-CB 4.47Å; I166-D179 HydrophobicContact CG2-CB 3.62Å; I166-F207 HydrophobicContact CD1-CE1 4Å; I166-F207 HydrophobicContact CD1-CE2 4.23Å; I166-F207 HydrophobicContact CD1-CZ 3.78Å
167A98.3Very high85.9Confident0 Ų049.2 Ų49.20%027%0.268CS..EExtended strand (participates in β ladder)trans-114.3147.9175.100000111.1L52 M53 A94 H97 E177 F178L52-A167 CarbonylContact O-C 3.59Å; M53-A167 HydrophobicContact CG-CB 4.11Å; A94-A167 HydrophobicContact CB-CB 4.16Å; H97-A167 HydrophobicContact CB-CB 4.07Å; A167-E177 CarbonylContact O-C 3.59Å; A167-E177 WeakPolarHBondContact O-CA 3.49Å; A167-F178 HydrophobicContact CB-CB 4.34Å; A167-F178 PolarHBondContact N-O 3.39Å; A167-F178 PolarHBondContact O-N 2.84Å
168F98.6Very high88Confident0 Ų040.2 Ų40.20%023%0.226CC..EExtended strand (participates in β ladder)trans-117.7136.3170.2-62.6-88.4000108.8A51 L52 L54 I166 L175 Y176 E177 F196 A200 V203 C204 F207A51-F168 WeakPolarHBondContact CA-O 3.34Å; L52-F168 HydrophobicContact CB-CB 4.39Å; L52-F168 HydrophobicContact CD2-CD2 3.76Å; L52-F168 HydrophobicContact CD2-CE2 4.34Å; L52-F168 PolarHBondContact N-O 2.69Å; L52-F168 PolarHBondContact O-N 3.07Å; L54-F168 HydrophobicContact CB-CE2 4.1Å; I166-F168 HydrophobicContact CD1-CE2 3.69Å; I166-F168 HydrophobicContact CD1-CZ 3.56Å; I166-F168 HydrophobicContact CG1-CE2 3.84Å; I166-F168 HydrophobicContact CG1-CZ 4.21Å; F168-L175 HydrophobicContact CB-CD1 4.16Å; F168-L175 HydrophobicContact CD1-CD1 4.4Å; F168-Y176 CarbonylContact C-O 3.21Å; F168-Y176 WeakPolarHBondContact CA-O 3.42Å; F168-E177 HydrophobicContact CD1-CB 3.91Å; F168-E177 HydrophobicContact CD1-CG 4.36Å; F168-E177 HydrophobicContact CE1-CB 3.61Å; F168-E177 HydrophobicContact CE1-CG 3.73Å; F168-E177 HydrophobicContact CZ-CB 4.44Å; F168-E177 HydrophobicContact CZ-CG 4.07Å; F168-F196 HydrophobicContact CB-CE2 4.36Å; F168-F196 HydrophobicContact CB-CZ 4.33Å; F168-F196 VanDerWaalsContact O-CZ 3.26Å; F168-F196 WeakPolarHBondContact O-CZ 3.23Å; F168-A200 HydrophobicContact CB-CB 3.91Å; F168-A200 HydrophobicContact CG-CB 4.26Å; F168-V203 HydrophobicContact CD1-CG1 4.49Å; F168-V203 HydrophobicContact CE1-CB 4.08Å; F168-V203 HydrophobicContact CE1-CG1 3.52Å; F168-V203 HydrophobicContact CZ-CG1 3.93Å; F168-C204 WeakPolarHBondContact CE2-SG 3.49Å; F168-F207 HydrophobicContact CZ-CE2 4.19Å
169V98.3Very high90.1Very high0 Ų036.3 Ų36.30%019%0.185CC..EExtended strand (participates in β ladder)trans-143.9143178.8-1760000110.4A51 N101 N102 V171 Y176 F178A51-V169 HydrophobicContact CB-CG2 4.14Å; N101-V169 HydrophobicContact CB-CB 4.27Å; N101-V169 HydrophobicContact CB-CG1 3.8Å; N101-V169 HydrophobicContact CB-CG2 4.31Å; N102-V169 VanDerWaalsContact ND2-CG1 3.31Å; N102-V169 WeakPolarHBondContact ND2-CG1 3.21Å; V169-V171 HydrophobicContact CB-CG2 4.41Å; V169-V171 HydrophobicContact CG1-CG2 3.94Å; V169-Y176 PolarHBondContact N-O 3.44Å; V169-Y176 PolarHBondContact O-N 3.2Å; V169-F178 HydrophobicContact CB-CD2 4.49Å; V169-F178 HydrophobicContact CB-CE2 3.84Å; V169-F178 HydrophobicContact CG2-CD2 4.31Å; V169-F178 HydrophobicContact CG2-CE2 4.05Å
170N97.4Very high91.9Very high15 Ų1530.5 Ų30.58%0.0816%0.159CC..EExtended strand (participates in β ladder)trans-81.1113.5164.9178.915.6000109.9G173 Q174 T191 D193 F196N170-G173 WeakPolarHBondContact OD1-CA 3.18Å; N170-G173 PolarHBondContact OD1-N 3.22Å; N170-Q174 WeakPolarHBondContact CA-O 3.4Å; N170-Q174 PolarHBondContact OD1-N 3.39Å; N170-T191 HydrophobicContact CB-CG2 3.79Å; N170-T191 WeakPolarHBondContact OD1-CG2 3.48Å; N170-D193 PolarHBondContact ND2-N 3.06Å; N170-D193 PolarHBondContact ND2-OD1 3.38Å; N170-F196 HydrophobicContact CB-CB 4.31Å; N170-F196 HydrophobicContact CB-CD2 3.72Å; N170-F196 HydrophobicContact CB-CE2 4.41Å; N170-F196 HydrophobicContact CB-CG 4.1Å
171V95.9Very high93.2Very high14 Ų1427.6 Ų27.69%0.08514%0.144CC..EExtended strand (participates in β ladder)trans-120.1118.9171.8-173.80000108.6V79 N101 V169 G173 Q174 Y176V79-V171 HydrophobicContact CG1-CB 4.09Å; V79-V171 HydrophobicContact CG1-CG1 3.98Å; V79-V171 HydrophobicContact CG1-CG2 4.14Å; N101-V171 HydrophobicContact CB-CG2 3.92Å; V169-V171 HydrophobicContact CB-CG2 4.41Å; V169-V171 HydrophobicContact CG1-CG2 3.94Å; V171-G173 PolarHBondContact O-N 3.5Å; V171-Q174 PolarHBondContact N-O 3.36Å; V171-Q174 WeakPolarHBondContact O-CB 3.21Å; V171-Q174 PolarHBondContact O-N 2.9Å; V171-Y176 HydrophobicContact CB-CD2 3.85Å; V171-Y176 HydrophobicContact CB-CE2 4.01Å; V171-Y176 HydrophobicContact CG2-CD2 4.21Å
172N94.1Very high94.5Very high132 Ų13226.4 Ų26.471%0.70614%0.137SC*.THydrogen-bonded Turntrans5337.8179.7-59.4-27.8000114Q174N172-Q174 VanDerWaalsContact C-N 3.3Å; N172-Q174 PolarHBondContact O-N 3.43Å
173G95.7Very high95Very high26 Ų2628.4 Ų28.427%0.26815%0.147SC..THydrogen-bonded Turntrans7616.9-179.900000113.8N170 V171 A190 T191N170-G173 WeakPolarHBondContact OD1-CA 3.18Å; N170-G173 PolarHBondContact OD1-N 3.22Å; V171-G173 PolarHBondContact O-N 3.5Å; G173-A190 CarbonylContact O-C 3.54Å; G173-A190 WeakPolarHBondContact O-CA 3.4Å; G173-T191 CarbonylContact C-O 3.47Å; G173-T191 WeakPolarHBondContact CA-O 3.27Å; G173-T191 PolarHBondContact O-N 3.31Å; G173-T191 VanDerWaalsContact O-O 3.11Å
174Q96.2Very high95.2Very high62 Ų6225 Ų2529%0.2913%0.134SC..EExtended strand (participates in β ladder)trans-119.6134.9175.7-58.8-63.3-60.400110N170 V171 N172 Y176 N187 G189N170-Q174 WeakPolarHBondContact CA-O 3.4Å; N170-Q174 PolarHBondContact OD1-N 3.39Å; V171-Q174 PolarHBondContact N-O 3.36Å; V171-Q174 WeakPolarHBondContact O-CB 3.21Å; V171-Q174 PolarHBondContact O-N 2.9Å; N172-Q174 VanDerWaalsContact C-N 3.3Å; N172-Q174 PolarHBondContact O-N 3.43Å; Q174-Y176 HydrophobicContact CB-CD2 4.11Å; Q174-Y176 HydrophobicContact CB-CE2 3.54Å; Q174-Y176 HydrophobicContact CG-CE2 4.48Å; Q174-Y176 WeakPolarHBondContact O-CD2 3.47Å; Q174-Y176 PolarHBondContact O-N 3.41Å; Q174-N187 PolarHBondContact OE1-ND2 3.05Å; Q174-G189 WeakPolarHBondContact CA-O 3.36Å
175L97.4Very high95.4Very high6 Ų625.3 Ų25.33%0.03114%0.136CC..EExtended strand (participates in β ladder)trans-83.2112.7176.6175.660.4000109.5F168 N187 H188 G189 T191 F196 D199 A200 V203F168-L175 HydrophobicContact CB-CD1 4.16Å; F168-L175 HydrophobicContact CD1-CD1 4.4Å; L175-N187 PolarHBondContact O-OD1 3.31Å; L175-H188 HydrophobicContact CB-CB 4.3Å; L175-H188 HydrophobicContact CD2-CB 3.93Å; L175-H188 HydrophobicContact CG-CB 4.02Å; L175-H188 PolarHBondContact O-N 3.4Å; L175-G189 PolarHBondContact N-O 2.84Å; L175-T191 HydrophobicContact CB-CG2 3.89Å; L175-F196 HydrophobicContact CD1-CD2 3.94Å; L175-F196 HydrophobicContact CD1-CE2 3.62Å; L175-D199 HydrophobicContact CD2-CB 4.12Å; L175-A200 HydrophobicContact CD1-CB 4.01Å; L175-V203 HydrophobicContact CD2-CG2 3.78Å
176Y97.4Very high95.5Very high34 Ų3425 Ų2513%0.13313%0.134CC..EExtended strand (participates in β ladder)trans-107.4135.4176.9-73.9-80.3000111.5T74 V79 F168 V169 V171 Q174 F178 P185 V186 N187T74-Y176 WeakPolarHBondContact OG1-CE1 3.43Å; V79-Y176 HydrophobicContact CG1-CD2 3.99Å; V79-Y176 HydrophobicContact CG1-CE1 4.42Å; V79-Y176 HydrophobicContact CG1-CE2 3.88Å; V79-Y176 HydrophobicContact CG1-CG 4.3Å; F168-Y176 CarbonylContact C-O 3.21Å; F168-Y176 WeakPolarHBondContact CA-O 3.42Å; V169-Y176 PolarHBondContact N-O 3.44Å; V169-Y176 PolarHBondContact O-N 3.2Å; V171-Y176 HydrophobicContact CB-CD2 3.85Å; V171-Y176 HydrophobicContact CB-CE2 4.01Å; V171-Y176 HydrophobicContact CG2-CD2 4.21Å; Q174-Y176 HydrophobicContact CB-CD2 4.11Å; Q174-Y176 HydrophobicContact CB-CE2 3.54Å; Q174-Y176 HydrophobicContact CG-CE2 4.48Å; Q174-Y176 WeakPolarHBondContact O-CD2 3.47Å; Q174-Y176 PolarHBondContact O-N 3.41Å; Y176-F178 HydrophobicContact CG-CE2 4.44Å; Y176-F178 HydrophobicContact CG-CZ 4.41Å; Y176-P185 HydrophobicContact CD1-CB 4.08Å; Y176-P185 HydrophobicContact CD1-CG 4.49Å; Y176-V186 WeakPolarHBondContact CA-O 3.37Å; Y176-N187 HydrophobicContact CD1-CB 4.02Å; Y176-N187 HydrophobicContact CE1-CB 3.69Å
177E97.2Very high95.4Very high1 Ų126.9 Ų26.91%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-94.1128.5164176.9-169.2151.100109.3Q69 I166 A167 F168 P185 V186 H188Q69-E177 PolarHBondContact NE2-OE2 3.24Å; I166-E177 HydrophobicContact CD1-CG 4.15Å; A167-E177 CarbonylContact O-C 3.59Å; A167-E177 WeakPolarHBondContact O-CA 3.49Å; F168-E177 HydrophobicContact CD1-CB 3.91Å; F168-E177 HydrophobicContact CD1-CG 4.36Å; F168-E177 HydrophobicContact CE1-CB 3.61Å; F168-E177 HydrophobicContact CE1-CG 3.73Å; F168-E177 HydrophobicContact CZ-CB 4.44Å; F168-E177 HydrophobicContact CZ-CG 4.07Å; E177-P185 CarbonylContact O-C 3.45Å; E177-P185 VanDerWaalsContact O-CA 3.29Å; E177-P185 WeakPolarHBondContact O-CA 3.46Å; E177-V186 HydrophobicContact CB-CB 4.2Å; E177-V186 PolarHBondContact N-O 2.96Å; E177-V186 PolarHBondContact O-N 3.28Å; E177-H188 WeakPolarHBondContact CB-NE2 3.49Å; E177-H188 IonicContact OE2-CD2 2.64Å; E177-H188 IonicContact OE2-CE1 2.8Å; E177-H188 PolarHBondContact OE2-CE1 3.24Å; E177-H188 IonicContact OE2-NE2 3.65Å; E177-H188 PolarHBondContact OE2-NE2 2.92Å
178F96.9Very high95.2Very high1 Ų129.7 Ų29.70%0.00416%0.158CC..EExtended strand (participates in β ladder)trans-114.1100.1177.9-61-102.2000108.8V79 Y80 F81 H97 N101 I166 A167 V169 Y176 P185V79-F178 HydrophobicContact CB-CE1 4.1Å; V79-F178 HydrophobicContact CB-CZ 4.19Å; V79-F178 HydrophobicContact CG1-CZ 4.27Å; Y80-F178 WeakPolarHBondContact O-CE1 3.26Å; F81-F178 AromaticContact CD2-CD1 3.83Å; F81-F178 HydrophobicContact CD2-CD1 3.83Å; H97-F178 HydrophobicContact CB-CB 3.85Å; H97-F178 HydrophobicContact CB-CD1 4.15Å; H97-F178 HydrophobicContact CB-CG 4Å; H97-F178 AromaticContact CD2-CD1 4Å; H97-F178 AromaticContact CG-CD1 3.96Å; H97-F178 VanDerWaalsContact ND1-CB 3.34Å; H97-F178 WeakPolarHBondContact ND1-CB 3.39Å; N101-F178 HydrophobicContact CB-CZ 4.4Å; N101-F178 VanDerWaalsContact ND2-CE1 3.34Å; N101-F178 WeakPolarHBondContact ND2-CE1 3.46Å; I166-F178 WeakPolarHBondContact CA-O 3.04Å; A167-F178 HydrophobicContact CB-CB 4.34Å; A167-F178 PolarHBondContact N-O 3.39Å; A167-F178 PolarHBondContact O-N 2.84Å; V169-F178 HydrophobicContact CB-CD2 4.49Å; V169-F178 HydrophobicContact CB-CE2 3.84Å; V169-F178 HydrophobicContact CG2-CD2 4.31Å; V169-F178 HydrophobicContact CG2-CE2 4.05Å; Y176-F178 HydrophobicContact CG-CE2 4.44Å; Y176-F178 HydrophobicContact CG-CZ 4.41Å; F178-P185 HydrophobicContact CD1-CB 4.19Å; F178-P185 HydrophobicContact CE1-CB 4.11Å
179D95.3Very high95Very high3 Ų331.1 Ų31.12%0.01617%0.172CC..  trans-111.6113.7172.4175.5-1.2000108.9R66 F81 H164 I166 K181 M182R66-D179 IonicContact CZ-OD2 2.7Å; R66-D179 VanDerWaalsContact CZ-OD2 3.23Å; R66-D179 IonicContact NE-OD2 2.73Å; R66-D179 PolarHBondContact NE-OD2 2.7Å; R66-D179 IonicContact NH2-OD2 2.82Å; R66-D179 PolarHBondContact NH2-OD2 2.93Å; F81-D179 VanDerWaalsContact CZ-O 3.23Å; F81-D179 WeakPolarHBondContact CZ-O 3.31Å; H164-D179 IonicContact CD2-OD1 3.86Å; H164-D179 IonicContact CE1-OD1 2.75Å; H164-D179 PolarHBondContact CE1-OD1 3.37Å; H164-D179 IonicContact NE2-OD1 3Å; H164-D179 PolarHBondContact NE2-OD1 3.5Å; H164-D179 IonicContact NE2-OD2 2.86Å; I166-D179 HydrophobicContact CB-CB 4.47Å; I166-D179 HydrophobicContact CG2-CB 3.62Å; D179-K181 PolarHBondContact O-N 3.17Å; D179-K181 VanDerWaalsContact O-N 3.16Å; D179-K181 WeakPolarHBondContact OD1-CB 3.29Å; D179-K181 PolarHBondContact OD1-N 3.18Å; D179-M182 HydrophobicContact CB-CB 4.28Å; D179-M182 HydrophobicContact CB-CG 3.62Å; D179-M182 WeakPolarHBondContact O-CB 3.32Å; D179-M182 PolarHBondContact O-N 3.2Å; D179-M182 WeakPolarHBondContact OD2-CG 3.34Å
180G94Very high95Very high4 Ų435 Ų354%0.04120%0.204CC..THydrogen-bonded Turntrans-60.8-23.6179.500000114L82 K83 Q84 M182L82-G180 WeakPolarHBondContact O-CA 3.37Å; K83-G180 CarbonylContact C-O 3.58Å; K83-G180 VanDerWaalsContact CA-O 3.24Å; K83-G180 WeakPolarHBondContact CA-O 3.44Å; Q84-G180 VanDerWaalsContact N-C 3.31Å; Q84-G180 PolarHBondContact N-O 2.66Å; G180-M182 PolarHBondContact O-N 3.34Å
181K92.1Very high95Very high75 Ų7534.7 Ų34.733%0.32620%0.203SC..THydrogen-bonded Turntrans-79.8-2.4175.6-67.9-175.6178.6-171.80112.6L58 R66 Q84 D179L58-K181 HydrophobicContact CD2-CD 3.98Å; R66-K181 PolarHBondContact NH2-O 2.78Å; Q84-K181 HydrophobicContact CB-CG 4.42Å; D179-K181 PolarHBondContact O-N 3.17Å; D179-K181 VanDerWaalsContact O-N 3.16Å; D179-K181 WeakPolarHBondContact OD1-CB 3.29Å; D179-K181 PolarHBondContact OD1-N 3.18Å
182M91.9Very high95.1Very high12 Ų1240.7 Ų40.76%0.05923%0.228CC..SBendtrans-93.9163.2174.9-63.6-68.5-82.900111.6R66 Q69 V73 F81 D179 G180 G184 V186R66-M182 HydrophobicContact CB-SD 3.88Å; R66-M182 HydrophobicContact CG-SD 4.3Å; R66-M182 WeakPolarHBondContact O-CE 3.35Å; Q69-M182 HydrophobicContact CB-CE 3.94Å; V73-M182 HydrophobicContact CG2-CE 4.13Å; F81-M182 WeakPolarHBondContact CZ-O 3.33Å; D179-M182 HydrophobicContact CB-CB 4.28Å; D179-M182 HydrophobicContact CB-CG 3.62Å; D179-M182 WeakPolarHBondContact O-CB 3.32Å; D179-M182 PolarHBondContact O-N 3.2Å; D179-M182 WeakPolarHBondContact OD2-CG 3.34Å; G180-M182 PolarHBondContact O-N 3.34Å; M182-G184 PolarHBondContact O-N 3.11Å; M182-V186 HydrophobicContact CE-CG2 4.02Å
183N90.4Very high95.1Very high127 Ų12738.7 Ų38.768%0.67922%0.217SC*.SBendtrans-76.3-7.6177.3-75.4-40.8000114.1
184G93.1Very high95.1Very high5 Ų544.2 Ų44.25%0.05224%0.236CC..SBendtrans177.1178.7179.700000110.9F81 M182F81-G184 VanDerWaalsContact CE1-CA 3.47Å; M182-G184 PolarHBondContact O-N 3.11Å
185P94.8Very high95Very high6 Ų643.9 Ų43.94%0.03924%0.238CC..PPolyproline II helixtrans-73.8148.7179.829.6-30.3000111.4V73 T74 V79 F81 Y176 E177 F178V73-P185 WeakPolarHBondContact CA-O 3.4Å; T74-P185 PolarHBondContact N-O 3.38Å; T74-P185 PolarHBondContact OG1-O 3.48Å; V79-P185 HydrophobicContact CG2-CG 3.6Å; F81-P185 HydrophobicContact CD2-CB 4.09Å; F81-P185 HydrophobicContact CD2-CG 4.32Å; Y176-P185 HydrophobicContact CD1-CB 4.08Å; Y176-P185 HydrophobicContact CD1-CG 4.49Å; E177-P185 CarbonylContact O-C 3.45Å; E177-P185 VanDerWaalsContact O-CA 3.29Å; E177-P185 WeakPolarHBondContact O-CA 3.46Å; F178-P185 HydrophobicContact CD1-CB 4.19Å; F178-P185 HydrophobicContact CE1-CB 4.11Å
186V94.4Very high95.1Very high1 Ų143.6 Ų43.61%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-103.1123.9177.61770000108.9K72 V73 Y176 E177 M182K72-V186 HydrophobicContact CB-CG1 3.91Å; V73-V186 HydrophobicContact CG2-CG2 4.26Å; Y176-V186 WeakPolarHBondContact CA-O 3.37Å; E177-V186 HydrophobicContact CB-CB 4.2Å; E177-V186 PolarHBondContact N-O 2.96Å; E177-V186 PolarHBondContact O-N 3.28Å; M182-V186 HydrophobicContact CE-CG2 4.02Å
187N94.3Very high95.1Very high41 Ų4142.9 Ų42.922%0.21924%0.236CC..EExtended strand (participates in β ladder)trans-86.9124.7176.5-171.3-15.1000110.3T74 Q174 L175 Y176 G189T74-N187 HydrophobicContact CG2-CB 3.72Å; Q174-N187 PolarHBondContact OE1-ND2 3.05Å; L175-N187 PolarHBondContact O-OD1 3.31Å; Y176-N187 HydrophobicContact CD1-CB 4.02Å; Y176-N187 HydrophobicContact CE1-CB 3.69Å; N187-G189 WeakPolarHBondContact OD1-CA 3.34Å; N187-G189 PolarHBondContact OD1-N 3Å
188H94.4Very high95.1Very high59 Ų5945.9 Ų45.927%0.27325%0.254SS..EExtended strand (participates in β ladder)trans-1005.2178.2-71.5-80.1000113.9L175 E177 V203L175-H188 HydrophobicContact CB-CB 4.3Å; L175-H188 HydrophobicContact CD2-CB 3.93Å; L175-H188 HydrophobicContact CG-CB 4.02Å; L175-H188 PolarHBondContact O-N 3.4Å; E177-H188 WeakPolarHBondContact CB-NE2 3.49Å; E177-H188 IonicContact OE2-CD2 2.64Å; E177-H188 IonicContact OE2-CE1 2.8Å; E177-H188 PolarHBondContact OE2-CE1 3.24Å; E177-H188 IonicContact OE2-NE2 3.65Å; E177-H188 PolarHBondContact OE2-NE2 2.92Å; H188-V203 HydrophobicContact CB-CG2 3.99Å; H188-V203 VanDerWaalsContact CE1-CG1 3.46Å; H188-V203 WeakPolarHBondContact CE1-CG1 3.21Å
189G94.6Very high95.1Very high29 Ų2947.2 Ų47.230%0.29926%0.262SS..EExtended strand (participates in β ladder)trans104.3-167.2175.900000113.4Q174 L175 N187Q174-G189 WeakPolarHBondContact CA-O 3.36Å; L175-G189 PolarHBondContact N-O 2.84Å; N187-G189 WeakPolarHBondContact OD1-CA 3.34Å; N187-G189 PolarHBondContact OD1-N 3Å
190A97.3Very high95.2Very high81 Ų8147.1 Ų47.167%0.66926%0.261SS*.EExtended strand (participates in β ladder)trans-69.6143.2-174.300000112.7G173G173-A190 CarbonylContact O-C 3.54Å; G173-A190 WeakPolarHBondContact O-CA 3.4Å
191T98.1Very high95.4Very high10 Ų1046.9 Ų46.96%0.06126%0.259CS..  trans-146.9176.3171.3-164.90000110.4N170 G173 L175 F196 D199N170-T191 HydrophobicContact CB-CG2 3.79Å; N170-T191 WeakPolarHBondContact OD1-CG2 3.48Å; G173-T191 CarbonylContact C-O 3.47Å; G173-T191 WeakPolarHBondContact CA-O 3.27Å; G173-T191 PolarHBondContact O-N 3.31Å; G173-T191 VanDerWaalsContact O-O 3.11Å; L175-T191 HydrophobicContact CB-CG2 3.89Å; T191-F196 HydrophobicContact CG2-CD2 4.43Å; T191-F196 WeakPolarHBondContact OG1-CA 3.49Å; T191-D199 PolarHBondContact OG1-OD2 3.13Å
192K97.3Very high95.6Very high139 Ų13948.1 Ų48.160%0.60426%0.264SS*.  trans-135.4158.2177.3-59.7179.9-178.5178.60109.2E194 T195 F196K192-E194 WeakPolarHBondContact CB-OE2 3.45Å; K192-E194 PolarHBondContact O-N 3.25Å; K192-E194 VanDerWaalsContact O-N 3.16Å; K192-T195 PolarHBondContact N-OG1 2.82Å; K192-T195 PolarHBondContact O-N 2.73Å; K192-T195 VanDerWaalsContact O-N 3.1Å; K192-F196 WeakPolarHBondContact O-CA 3.41Å; K192-F196 VanDerWaalsContact O-CB 3.24Å; K192-F196 WeakPolarHBondContact O-CB 3.19Å; K192-F196 PolarHBondContact O-N 2.78Å
193D94.5Very high95.8Very high91 Ų9148.4 Ų48.449%0.48727%0.267SS..THydrogen-bonded Turntrans-57.4-33.9178.5-75.9-16.1000112.1N170N170-D193 PolarHBondContact ND2-N 3.06Å; N170-D193 PolarHBondContact ND2-OD1 3.38Å
194E94.8Very high96Very high142 Ų14242.4 Ų42.466%0.66423%0.234SC*.THydrogen-bonded Turntrans-76.4-27.8179.9-56.376.8-166.100113.8K192K192-E194 WeakPolarHBondContact CB-OE2 3.45Å; K192-E194 PolarHBondContact O-N 3.25Å; K192-E194 VanDerWaalsContact O-N 3.16Å
195T96Very high96Very high54 Ų5445.1 Ų45.133%0.33124%0.243SC..THydrogen-bonded Turntrans-106.7-7.8-17767.70000113.4K192 V197 T198 D199K192-T195 PolarHBondContact N-OG1 2.82Å; K192-T195 PolarHBondContact O-N 2.73Å; K192-T195 VanDerWaalsContact O-N 3.1Å; T195-V197 PolarHBondContact O-N 3.42Å; T195-T198 WeakPolarHBondContact O-CA 3.33Å; T195-T198 WeakPolarHBondContact O-CB 3.45Å; T195-T198 PolarHBondContact O-N 3.01Å; T195-D199 WeakPolarHBondContact CB-OD2 3.44Å; T195-D199 PolarHBondContact O-N 3.22Å; T195-D199 PolarHBondContact OG1-OD2 3.24Å
196F97.8Very high95.8Very high1 Ų146.3 Ų46.30%0.00425%0.252CS..Hα-helixtrans-49.4-51.9-172.5161.4-104.9000112.9L52 F168 N170 L175 T191 K192 T198 D199 A200L52-F196 HydrophobicContact CB-CE1 4.5Å; L52-F196 HydrophobicContact CB-CZ 4.29Å; F168-F196 HydrophobicContact CB-CE2 4.36Å; F168-F196 HydrophobicContact CB-CZ 4.33Å; F168-F196 VanDerWaalsContact O-CZ 3.26Å; F168-F196 WeakPolarHBondContact O-CZ 3.23Å; N170-F196 HydrophobicContact CB-CB 4.31Å; N170-F196 HydrophobicContact CB-CD2 3.72Å; N170-F196 HydrophobicContact CB-CE2 4.41Å; N170-F196 HydrophobicContact CB-CG 4.1Å; L175-F196 HydrophobicContact CD1-CD2 3.94Å; L175-F196 HydrophobicContact CD1-CE2 3.62Å; T191-F196 HydrophobicContact CG2-CD2 4.43Å; T191-F196 WeakPolarHBondContact OG1-CA 3.49Å; K192-F196 WeakPolarHBondContact O-CA 3.41Å; K192-F196 VanDerWaalsContact O-CB 3.24Å; K192-F196 WeakPolarHBondContact O-CB 3.19Å; K192-F196 PolarHBondContact O-N 2.78Å; F196-T198 VanDerWaalsContact C-N 3.29Å; F196-T198 PolarHBondContact O-N 2.85Å; F196-D199 PolarHBondContact O-N 3.34Å; F196-A200 HydrophobicContact CE2-CB 4.1Å; F196-A200 HydrophobicContact CZ-CB 4.25Å; F196-A200 VanDerWaalsContact O-CB 3.32Å; F196-A200 WeakPolarHBondContact O-CB 3.43Å; F196-A200 PolarHBondContact O-N 3.47Å
197V97.2Very high95.4Very high19 Ų1946.4 Ų46.412%0.11525%0.252CS..Hα-helixtrans-60.7-40.5-179.8174.20000111.3L42 V45 S49 T195 A201L42-V197 HydrophobicContact CD1-CG1 3.66Å; L42-V197 HydrophobicContact CG-CG1 4.24Å; V45-V197 HydrophobicContact CB-CG1 4.5Å; V45-V197 HydrophobicContact CG1-CG1 4.39Å; S49-V197 WeakPolarHBondContact OG-CG2 3.46Å; T195-V197 PolarHBondContact O-N 3.42Å; V197-A201 WeakPolarHBondContact O-CB 3.33Å; V197-A201 PolarHBondContact O-N 3.21Å
198T97.3Very high95Very high63 Ų6347 Ų4739%0.38725%0.254SS..Hα-helixtrans-67.4-39.6177.8-54.90000112.2L42 T195 F196 K202L42-T198 HydrophobicContact CD2-CG2 4.41Å; T195-T198 WeakPolarHBondContact O-CA 3.33Å; T195-T198 WeakPolarHBondContact O-CB 3.45Å; T195-T198 PolarHBondContact O-N 3.01Å; F196-T198 VanDerWaalsContact C-N 3.29Å; F196-T198 PolarHBondContact O-N 2.85Å; T198-K202 WeakPolarHBondContact O-CG 3.18Å; T198-K202 PolarHBondContact O-N 3.07Å
199D97.9Very high94.7Very high30 Ų3050.4 Ų50.416%0.1627%0.27CS..Hα-helixtrans-72.6-42.6179.3-61.9-32.9000111.4L175 T191 T195 F196 A201 K202 V203L175-D199 HydrophobicContact CD2-CB 4.12Å; T191-D199 PolarHBondContact OG1-OD2 3.13Å; T195-D199 WeakPolarHBondContact CB-OD2 3.44Å; T195-D199 PolarHBondContact O-N 3.22Å; T195-D199 PolarHBondContact OG1-OD2 3.24Å; F196-D199 PolarHBondContact O-N 3.34Å; D199-A201 PolarHBondContact O-N 3.26Å; D199-K202 WeakPolarHBondContact O-CB 3.37Å; D199-K202 PolarHBondContact O-N 3.35Å; D199-K202 IonicContact OD1-NZ 3.75Å; D199-K202 PolarHBondContact OD1-NZ 3.3Å; D199-V203 PolarHBondContact O-N 3.35Å
200A98.1Very high94.1Very high0 Ų052.1 Ų52.10%027%0.267CS..Hα-helixtrans-61.5-41.3172.900000112L52 F168 L175 F196 K202 V203 C204L52-A200 HydrophobicContact CB-CB 4.21Å; L52-A200 HydrophobicContact CD1-CB 4.03Å; F168-A200 HydrophobicContact CB-CB 3.91Å; F168-A200 HydrophobicContact CG-CB 4.26Å; L175-A200 HydrophobicContact CD1-CB 4.01Å; F196-A200 HydrophobicContact CE2-CB 4.1Å; F196-A200 HydrophobicContact CZ-CB 4.25Å; F196-A200 VanDerWaalsContact O-CB 3.32Å; F196-A200 WeakPolarHBondContact O-CB 3.43Å; F196-A200 PolarHBondContact O-N 3.47Å; A200-K202 VanDerWaalsContact C-N 3.34Å; A200-K202 PolarHBondContact O-N 3.43Å; A200-V203 WeakPolarHBondContact O-CB 3.45Å; A200-V203 PolarHBondContact O-N 2.83Å; A200-V203 VanDerWaalsContact O-N 3.14Å; A200-C204 PolarHBondContact O-N 3.26Å; A200-C204 PolarHBondContact O-SG 3.34Å
201A97.4Very high93.4Very high0 Ų049.7 Ų49.70%024%0.242CC..Hα-helixtrans-63.5-37177.200000112.6L37 L42 V197 D199 V203 C204 R205L37-A201 HydrophobicContact CB-CB 4.19Å; L37-A201 HydrophobicContact CD2-CB 4.05Å; L42-A201 HydrophobicContact CD1-CB 3.83Å; L42-A201 HydrophobicContact CD2-CB 3.59Å; L42-A201 HydrophobicContact CG-CB 4.38Å; V197-A201 WeakPolarHBondContact O-CB 3.33Å; V197-A201 PolarHBondContact O-N 3.21Å; D199-A201 PolarHBondContact O-N 3.26Å; A201-V203 VanDerWaalsContact C-N 3.3Å; A201-V203 PolarHBondContact O-N 2.9Å; A201-C204 WeakPolarHBondContact O-CB 3.49Å; A201-C204 PolarHBondContact O-N 2.87Å; A201-R205 WeakPolarHBondContact O-CG 3.34Å; A201-R205 PolarHBondContact O-N 2.89Å
202K96.9Very high92.3Very high101 Ų10158.1 Ų58.144%0.43928%0.278SS..Hα-helixtrans-59.8-42.7172.5-68.8165.1-167.4158.50111.4T198 D199 A200 R205 S206T198-K202 WeakPolarHBondContact O-CG 3.18Å; T198-K202 PolarHBondContact O-N 3.07Å; D199-K202 WeakPolarHBondContact O-CB 3.37Å; D199-K202 PolarHBondContact O-N 3.35Å; D199-K202 IonicContact OD1-NZ 3.75Å; D199-K202 PolarHBondContact OD1-NZ 3.3Å; A200-K202 VanDerWaalsContact C-N 3.34Å; A200-K202 PolarHBondContact O-N 3.43Å; K202-R205 PolarHBondContact O-N 2.98Å; K202-S206 PolarHBondContact O-N 2.83Å
203V95.9Very high91.5Very high18 Ų1859 Ų5911%0.10929%0.29CS..Hα-helixtrans-63.6-45.7176179.60000110.1F168 L175 H188 D199 A200 A201 R205 S206 F207F168-V203 HydrophobicContact CD1-CG1 4.49Å; F168-V203 HydrophobicContact CE1-CB 4.08Å; F168-V203 HydrophobicContact CE1-CG1 3.52Å; F168-V203 HydrophobicContact CZ-CG1 3.93Å; L175-V203 HydrophobicContact CD2-CG2 3.78Å; H188-V203 HydrophobicContact CB-CG2 3.99Å; H188-V203 VanDerWaalsContact CE1-CG1 3.46Å; H188-V203 WeakPolarHBondContact CE1-CG1 3.21Å; D199-V203 PolarHBondContact O-N 3.35Å; A200-V203 WeakPolarHBondContact O-CB 3.45Å; A200-V203 PolarHBondContact O-N 2.83Å; A200-V203 VanDerWaalsContact O-N 3.14Å; A201-V203 VanDerWaalsContact C-N 3.3Å; A201-V203 PolarHBondContact O-N 2.9Å; V203-R205 VanDerWaalsContact C-N 3.34Å; V203-R205 PolarHBondContact O-N 3.43Å; V203-S206 WeakPolarHBondContact O-CB 3.49Å; V203-S206 PolarHBondContact O-N 3.15Å; V203-S206 PolarHBondContact O-OG 3.38Å; V203-F207 HydrophobicContact CG1-CE2 3.99Å; V203-F207 WeakPolarHBondContact O-CD2 3.49Å
204C95Very high91Very high0 Ų056.2 Ų56.20%027%0.274CS..Hα-helixtrans-57.6-42.8176.8-64.90000112.8L37 L52 L54 F168 A200 A201 S206 F207 M208L37-C204 HydrophobicContact CD1-CB 3.64Å; L37-C204 HydrophobicContact CD2-CB 4.22Å; L52-C204 WeakPolarHBondContact CD2-SG 3.47Å; L54-C204 HydrophobicContact CD1-CB 4.15Å; L54-C204 HydrophobicContact CD2-CB 3.99Å; F168-C204 WeakPolarHBondContact CE2-SG 3.49Å; A200-C204 PolarHBondContact O-N 3.26Å; A200-C204 PolarHBondContact O-SG 3.34Å; A201-C204 WeakPolarHBondContact O-CB 3.49Å; A201-C204 PolarHBondContact O-N 2.87Å; C204-S206 PolarHBondContact O-N 3.06Å; C204-F207 WeakPolarHBondContact O-CB 3.42Å; C204-F207 PolarHBondContact O-N 2.78Å; C204-M208 PolarHBondContact O-N 2.79Å
205R92.8Very high90.5Very high62 Ų6254.9 Ų54.923%0.23428%0.275CS..Hα-helixtrans-59.4-34.6175.5-69.3-165.5-49.1-102.87.4112.3L37 A201 K202 V203 F207 M208 E209L37-R205 HydrophobicContact CB-CG 3.71Å; L37-R205 HydrophobicContact CD1-CG 3.94Å; L37-R205 PolarHBondContact O-NH1 3.37Å; A201-R205 WeakPolarHBondContact O-CG 3.34Å; A201-R205 PolarHBondContact O-N 2.89Å; K202-R205 PolarHBondContact O-N 2.98Å; V203-R205 VanDerWaalsContact C-N 3.34Å; V203-R205 PolarHBondContact O-N 3.43Å; R205-F207 PolarHBondContact O-N 2.93Å; R205-M208 PolarHBondContact O-N 3.15Å; R205-E209 WeakPolarHBondContact O-CB 3.34Å; R205-E209 WeakPolarHBondContact O-CG 3.29Å; R205-E209 PolarHBondContact O-N 3.07Å
206S89.9Confident90.1Very high32 Ų3258 Ų5822%0.22428%0.28CS..Hα-helixtrans-64.7-23.3175.483.30000113.9K202 V203 C204 R210K202-S206 PolarHBondContact O-N 2.83Å; V203-S206 WeakPolarHBondContact O-CB 3.49Å; V203-S206 PolarHBondContact O-N 3.15Å; V203-S206 PolarHBondContact O-OG 3.38Å; C204-S206 PolarHBondContact O-N 3.06Å; S206-R210 WeakPolarHBondContact O-CD 3.28Å; S206-R210 VanDerWaalsContact O-CG 3.28Å; S206-R210 WeakPolarHBondContact O-CG 3.47Å; S206-R210 VanDerWaalsContact O-CZ 3.24Å; S206-R210 PolarHBondContact O-NE 3.38Å; S206-R210 PolarHBondContact OG-NH2 3.19Å
207F87Confident89.7Confident3 Ų362.2 Ų62.21%0.01330%0.299CS..Hα-helixtrans-72.1-44.5170.6-74.4-104.6000110.2L54 F56 H62 I166 F168 V203 C204 R205 R210L54-F207 HydrophobicContact CD2-CB 4.21Å; L54-F207 HydrophobicContact CD2-CD2 4.32Å; L54-F207 HydrophobicContact CD2-CG 4.18Å; F56-F207 HydrophobicContact CD2-CD1 4.36Å; F56-F207 HydrophobicContact CE1-CD1 4.27Å; F56-F207 HydrophobicContact CE1-CE1 4.37Å; F56-F207 AromaticContact CE2-CD1 3.98Å; F56-F207 HydrophobicContact CE2-CD1 3.98Å; F56-F207 HydrophobicContact CE2-CE1 4.33Å; F56-F207 AromaticContact CZ-CD1 3.93Å; F56-F207 HydrophobicContact CZ-CD1 3.93Å; F56-F207 AromaticContact CZ-CE1 3.93Å; F56-F207 HydrophobicContact CZ-CE1 3.93Å; H62-F207 AromaticContact CD2-CD1 3.86Å; H62-F207 PolarHBondContact NE2-O 2.96Å; I166-F207 HydrophobicContact CD1-CE1 4Å; I166-F207 HydrophobicContact CD1-CE2 4.23Å; I166-F207 HydrophobicContact CD1-CZ 3.78Å; F168-F207 HydrophobicContact CZ-CE2 4.19Å; V203-F207 HydrophobicContact CG1-CE2 3.99Å; V203-F207 WeakPolarHBondContact O-CD2 3.49Å; C204-F207 WeakPolarHBondContact O-CB 3.42Å; C204-F207 PolarHBondContact O-N 2.78Å; R205-F207 PolarHBondContact O-N 2.93Å; F207-R210 PolarHBondContact O-N 3.41Å
208M85.6Confident89.6Confident52 Ų5263.1 Ų63.126%0.25631%0.306SS..Hα-helixtrans-67.7-41.4-179.5-61.4167.355.200112.6L37 C204 R205 R210 E211 F217L37-M208 HydrophobicContact CD1-SD 3.37Å; L37-M208 WeakPolarHBondContact CD1-SD 3.43Å; C204-M208 PolarHBondContact O-N 2.79Å; R205-M208 PolarHBondContact O-N 3.15Å; M208-R210 PolarHBondContact O-N 3.04Å; M208-E211 CarbonylContact O-C 3.41Å; M208-E211 PolarHBondContact O-N 3.22Å; M208-E211 VanDerWaalsContact O-N 3.16Å; M208-F217 HydrophobicContact CE-CD1 3.59Å; M208-F217 HydrophobicContact CE-CD2 3.74Å; M208-F217 HydrophobicContact CE-CE1 3.25Å; M208-F217 HydrophobicContact CE-CE2 3.39Å; M208-F217 HydrophobicContact CE-CG 3.85Å; M208-F217 HydrophobicContact CE-CZ 3.15Å; M208-F217 HydrophobicContact CG-CD1 4.23Å; M208-F217 HydrophobicContact CG-CG 4.18Å; M208-F217 HydrophobicContact SD-CD1 4.15Å; M208-F217 HydrophobicContact SD-CD2 3.73Å; M208-F217 HydrophobicContact SD-CE1 4.35Å; M208-F217 HydrophobicContact SD-CE2 3.93Å; M208-F217 HydrophobicContact SD-CG 3.86Å; M208-F217 HydrophobicContact SD-CZ 4.26Å
209E87.1Confident89.5Confident132 Ų13260.3 Ų60.362%0.61729%0.29SS*.THydrogen-bonded Turntrans-65.9-20.3-179.6-72.6169.9-174.100113.5R205R205-E209 WeakPolarHBondContact O-CB 3.34Å; R205-E209 WeakPolarHBondContact O-CG 3.29Å; R205-E209 PolarHBondContact O-N 3.07Å
210R83.1Confident89.5Confident64 Ų6459 Ų5924%0.24228%0.283CS..THydrogen-bonded Turntrans-71.5-33.3175.3-73.7171.6-162.6127.118.3112Q61 S206 F207 M208Q61-R210 PolarHBondContact OE1-O 2.94Å; S206-R210 WeakPolarHBondContact O-CD 3.28Å; S206-R210 VanDerWaalsContact O-CG 3.28Å; S206-R210 WeakPolarHBondContact O-CG 3.47Å; S206-R210 VanDerWaalsContact O-CZ 3.24Å; S206-R210 PolarHBondContact O-NE 3.38Å; S206-R210 PolarHBondContact OG-NH2 3.19Å; F207-R210 PolarHBondContact O-N 3.41Å; M208-R210 PolarHBondContact O-N 3.04Å
211E82.3Confident89.5Confident31 Ų3159 Ų5915%0.14528%0.283CS..SBendtrans-116.682.2-179.2-70.9-72.5-17200109.6T59 Q61 H62 M208 D213 E214T59-E211 VanDerWaalsContact CB-OE1 3.28Å; T59-E211 WeakPolarHBondContact CB-OE1 3.44Å; T59-E211 HydrophobicContact CG2-CG 4.23Å; T59-E211 PolarHBondContact OG1-OE1 2.92Å; Q61-E211 WeakPolarHBondContact CB-OE1 3.48Å; Q61-E211 WeakPolarHBondContact CG-OE1 3.39Å; Q61-E211 PolarHBondContact NE2-OE1 3.25Å; Q61-E211 VanDerWaalsContact NE2-OE1 3.1Å; Q61-E211 PolarHBondContact NE2-OE2 2.55Å; H62-E211 VanDerWaalsContact CE1-CG 3.48Å; H62-E211 WeakPolarHBondContact CE1-CG 3.26Å; M208-E211 CarbonylContact O-C 3.41Å; M208-E211 PolarHBondContact O-N 3.22Å; M208-E211 VanDerWaalsContact O-N 3.16Å; E211-D213 PolarHBondContact O-N 3.16Å; E211-E214 HydrophobicContact CB-CB 3.65Å; E211-E214 WeakPolarHBondContact O-CB 3.26Å; E211-E214 PolarHBondContact O-N 2.88Å
212K74.1Confident89.6Confident187 Ų18759 Ų5981%0.81328%0.283SS*.THydrogen-bonded Turntrans-57.3-25.3-170.8-67.1-176.5179.7178.30115.1
213D81.4Confident89.6Confident158 Ų15854.2 Ų54.285%0.84526%0.262SS*.THydrogen-bonded Turntrans-99.91.1-178.6-59.3-43.5000112.7E211E211-D213 PolarHBondContact O-N 3.16Å
214E84.1Confident89.5Confident32 Ų3257.4 Ų57.415%0.1528%0.276CS..  trans-93.4114.5-178.5-17555.7-100.900111.7P57 E211 R216P57-E214 HydrophobicContact CG-CG 3.38Å; P57-E214 WeakPolarHBondContact CG-OE2 3.31Å; E211-E214 HydrophobicContact CB-CB 3.65Å; E211-E214 WeakPolarHBondContact O-CB 3.26Å; E211-E214 PolarHBondContact O-N 2.88Å; E214-R216 WeakPolarHBondContact OE1-CB 3.45Å; E214-R216 VanDerWaalsContact OE1-CG 3.3Å; E214-R216 WeakPolarHBondContact OE1-CG 3.26Å; E214-R216 IonicContact OE1-CZ 3.44Å; E214-R216 PolarHBondContact OE1-N 3.09Å; E214-R216 IonicContact OE1-NE 3.37Å; E214-R216 PolarHBondContact OE1-NE 3.1Å; E214-R216 IonicContact OE1-NH2 2.8Å; E214-R216 IonicContact OE2-CZ 3.88Å; E214-R216 IonicContact OE2-NE 3.36Å; E214-R216 PolarHBondContact OE2-NE 2.89Å; E214-R216 IonicContact OE2-NH2 2.68Å; E214-R216 PolarHBondContact OE2-NH2 2.78Å
215V82.7Confident88.7Confident114 Ų11462.3 Ų62.369%0.69131%0.31SS*.  trans-108.3-4.3-177.5-61.50000113F217V215-F217 WeakPolarHBondContact O-CD1 3.38Å; V215-F217 WeakPolarHBondContact O-CE1 3.24Å; V215-F217 PolarHBondContact O-N 3.48Å; V215-F217 VanDerWaalsContact O-N 3.15Å
216R88.6Confident88.5Confident118 Ų11862.4 Ų62.445%0.44531%0.314SS..  trans-89.973.2-174.9-59.4169.1-68.9-1720.6110.9P57 F163 E214P57-R216 WeakPolarHBondContact CD-O 3.43Å; F163-R216 HydrophobicContact CE1-CB 3.83Å; F163-R216 HydrophobicContact CZ-CB 3.91Å; E214-R216 WeakPolarHBondContact OE1-CB 3.45Å; E214-R216 VanDerWaalsContact OE1-CG 3.3Å; E214-R216 WeakPolarHBondContact OE1-CG 3.26Å; E214-R216 IonicContact OE1-CZ 3.44Å; E214-R216 PolarHBondContact OE1-N 3.09Å; E214-R216 IonicContact OE1-NE 3.37Å; E214-R216 PolarHBondContact OE1-NE 3.1Å; E214-R216 IonicContact OE1-NH2 2.8Å; E214-R216 IonicContact OE2-CZ 3.88Å; E214-R216 IonicContact OE2-NE 3.36Å; E214-R216 PolarHBondContact OE2-NE 2.89Å; E214-R216 IonicContact OE2-NH2 2.68Å; E214-R216 PolarHBondContact OE2-NH2 2.78Å
217F90Very high88.4Confident90 Ų9063.9 Ų63.940%0.39532%0.319SS..  trans-123.8154.6172.257.2-84.8000110.1L55 M208 V215L55-F217 VanDerWaalsContact O-CA 3.24Å; L55-F217 WeakPolarHBondContact O-CA 3.41Å; L55-F217 WeakPolarHBondContact O-CB 3.4Å; M208-F217 HydrophobicContact CE-CD1 3.59Å; M208-F217 HydrophobicContact CE-CD2 3.74Å; M208-F217 HydrophobicContact CE-CE1 3.25Å; M208-F217 HydrophobicContact CE-CE2 3.39Å; M208-F217 HydrophobicContact CE-CG 3.85Å; M208-F217 HydrophobicContact CE-CZ 3.15Å; M208-F217 HydrophobicContact CG-CD1 4.23Å; M208-F217 HydrophobicContact CG-CG 4.18Å; M208-F217 HydrophobicContact SD-CD1 4.15Å; M208-F217 HydrophobicContact SD-CD2 3.73Å; M208-F217 HydrophobicContact SD-CE1 4.35Å; M208-F217 HydrophobicContact SD-CE2 3.93Å; M208-F217 HydrophobicContact SD-CG 3.86Å; M208-F217 HydrophobicContact SD-CZ 4.26Å; V215-F217 WeakPolarHBondContact O-CD1 3.38Å; V215-F217 WeakPolarHBondContact O-CE1 3.24Å; V215-F217 PolarHBondContact O-N 3.48Å; V215-F217 VanDerWaalsContact O-N 3.15Å
218S93.4Very high88.5Confident38 Ų3867.3 Ų67.327%0.26634%0.336SS..EExtended strand (participates in β ladder)trans-142.8146.1170.3177.90000108.9L55L55-S218 PolarHBondContact N-O 2.89Å; L55-S218 PolarHBondContact O-N 3.38Å
219A96.6Very high88.7Confident5 Ų568.2 Ų68.24%0.04134%0.34CS..EExtended strand (participates in β ladder)trans-134.8140.5177.100000110.2I34 L37 M53 L54I34-A219 HydrophobicContact CB-CB 4.04Å; I34-A219 HydrophobicContact CD1-CB 4.16Å; I34-A219 HydrophobicContact CG1-CB 4.48Å; I34-A219 PolarHBondContact N-O 2.92Å; L37-A219 HydrophobicContact CD2-CB 4.06Å; M53-A219 VanDerWaalsContact O-CA 3.26Å; M53-A219 WeakPolarHBondContact O-CA 3.45Å; L54-A219 HydrophobicContact CD1-CB 4.24Å
220V97.9Very high88.8Confident2 Ų264.3 Ų64.31%0.01232%0.323CS..EExtended strand (participates in β ladder)trans-130.8147.6177.2-60.20000109.7P13 L16 F31 V32 L52 M53P13-V220 HydrophobicContact CG-CG1 3.73Å; L16-V220 HydrophobicContact CD1-CG2 3.63Å; F31-V220 HydrophobicContact CD1-CB 4.28Å; F31-V220 HydrophobicContact CD1-CG2 3.77Å; F31-V220 HydrophobicContact CE1-CG2 4.31Å; V32-V220 CarbonylContact O-C 3.59Å; V32-V220 WeakPolarHBondContact O-CA 3.18Å; V32-V220 WeakPolarHBondContact O-CB 3.17Å; L52-V220 CarbonylContact C-O 3.5Å; L52-V220 WeakPolarHBondContact CA-O 3.32Å; M53-V220 HydrophobicContact CB-CG2 3.74Å; M53-V220 PolarHBondContact N-O 3.4Å; M53-V220 PolarHBondContact O-N 3.47Å
221A98.1Very high89.1Confident0 Ų064.3 Ų64.30%033%0.329CS..EExtended strand (participates in β ladder)trans-113.5138.217600000110.3F31 V32 I34 V45 A51 C223F31-A221 CarbonylContact C-O 3.58Å; F31-A221 VanDerWaalsContact CA-O 3.24Å; F31-A221 WeakPolarHBondContact CA-O 3.28Å; V32-A221 HydrophobicContact CG2-CB 4.2Å; V32-A221 PolarHBondContact N-O 3.37Å; V32-A221 PolarHBondContact O-N 2.8Å; I34-A221 HydrophobicContact CD1-CB 3.86Å; I34-A221 HydrophobicContact CG1-CB 3.92Å; V45-A221 HydrophobicContact CG1-CB 3.66Å; A51-A221 CarbonylContact O-C 3.37Å; A51-A221 WeakPolarHBondContact O-CA 3.43Å; A221-C223 WeakPolarHBondContact CB-SG 3.19Å; A221-C223 PolarHBondContact O-N 2.68Å
222L98.1Very high89.6Confident0 Ų066.6 Ų66.60%034%0.342CS..EExtended strand (participates in β ladder)trans-85.1107.1166.4-17658.1000108.4M20 W29 F31 S49 C50 A51 M106M20-L222 HydrophobicContact CE-CD1 4.49Å; M20-L222 HydrophobicContact SD-CD1 4.12Å; W29-L222 HydrophobicContact CB-CD1 3.98Å; W29-L222 HydrophobicContact CB-CG 4.46Å; W29-L222 HydrophobicContact CE3-CG 4.14Å; F31-L222 HydrophobicContact CD1-CB 4.15Å; F31-L222 HydrophobicContact CD2-CD1 4.05Å; F31-L222 HydrophobicContact CE1-CB 3.79Å; F31-L222 HydrophobicContact CE1-CD1 4.45Å; F31-L222 HydrophobicContact CE2-CD1 3.95Å; F31-L222 HydrophobicContact CG-CD1 4.36Å; F31-L222 HydrophobicContact CZ-CB 4.11Å; F31-L222 HydrophobicContact CZ-CD1 4.17Å; F31-L222 HydrophobicContact CZ-CD2 4.35Å; F31-L222 HydrophobicContact CZ-CG 4.44Å; S49-L222 WeakPolarHBondContact CA-O 3.22Å; S49-L222 PolarHBondContact OG-O 3.45Å; C50-L222 PolarHBondContact N-O 3.32Å; A51-L222 HydrophobicContact CB-CB 3.98Å; A51-L222 PolarHBondContact O-N 2.94Å; M106-L222 HydrophobicContact CE-CD2 4.08Å; M106-L222 HydrophobicContact SD-CD2 4.42Å
223C97.2Very high90.8Very high1 Ų157.4 Ų57.41%0.00731%0.305CS..EExtended strand (participates in β ladder)trans-120.3151.6-172.5-61.50000111.5W29 R30 V32 P46 P48 A221W29-C223 CarbonylContact C-O 3.58Å; W29-C223 WeakPolarHBondContact CA-O 3.14Å; R30-C223 PolarHBondContact N-O 3.09Å; R30-C223 PolarHBondContact O-N 3.11Å; V32-C223 HydrophobicContact CG2-CB 4.37Å; P46-C223 HydrophobicContact CB-CB 3.92Å; P46-C223 PolarHBondContact O-SG 2.89Å; P48-C223 WeakPolarHBondContact O-CA 3.49Å; A221-C223 WeakPolarHBondContact CB-SG 3.19Å; A221-C223 PolarHBondContact O-N 2.68Å
224Q94Very high91.6Very high84 Ų8449 Ų4939%0.39326%0.261SS..EExtended strand (participates in β ladder)trans-73130.6170.6-160.7174.514.500109.3H28 W29 P48H28-Q224 HydrophobicContact CB-CG 4.14Å; H28-Q224 CarbonylContact O-C 3.58Å; H28-Q224 WeakPolarHBondContact O-CA 3.21Å; H28-Q224 VanDerWaalsContact O-CG 3.26Å; H28-Q224 WeakPolarHBondContact O-CG 3.46Å; W29-Q224 HydrophobicContact CD2-CB 4.25Å; W29-Q224 HydrophobicContact CE3-CB 4.18Å; W29-Q224 VanDerWaalsContact CE3-N 3.28Å; W29-Q224 HydrophobicContact CH2-CB 4.09Å; W29-Q224 HydrophobicContact CZ2-CB 4.18Å; W29-Q224 HydrophobicContact CZ2-CG 4.47Å; W29-Q224 HydrophobicContact CZ3-CB 4.09Å; P48-Q224 HydrophobicContact CG-CB 3.81Å; P48-Q224 PolarHBondContact O-N 2.87Å
225S78.7Confident92.3Very high104 Ų10450.5 Ų50.573%0.72727%0.271SS*.  trans-92.90179.665.90000112.5H28H28-S225 VanDerWaalsContact C-OG 3.28Å; H28-S225 VanDerWaalsContact CA-OG 3.29Å; H28-S225 WeakPolarHBondContact CA-OG 3.3Å; H28-S225 PolarHBondContact O-N 3.06Å; H28-S225 PolarHBondContact O-OG 3.26Å

Retrieved 225 of 225 residues in 379.5 ms (Link to these results)

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