Movie generated with PyMOL

A: b.47.1.2 (red/blue)

View b.47.1.2 in Scoppi
PDB: 1cgi (Search literature with GoPubMed)
FA: Eukaryotic proteases
SF: Trypsin-like serine proteases
SP: Cow (Bos taurus)/Cow (Bos taurus)

B: g.15.1.1 (yellow)

View g.15.1.1 in Scoppi
PDB: 1cgi (Search literature with GoPubMed)
FA: Animal Kazal-type inhibitors
SF: Ovomucoid/PCI-1 like inhibitors
SP: Human (Homo sapiens)

C: g.3.13.1 (green)

View g.3.13.1 in Scoppi
PDB: 1tab (Search literature with GoPubMed)
FA: Bowman-Birk inhibitor, BBI
SF: Bowman-Birk inhibitor, BBI
SP: Adzuki bean (Phaseolus angularis)
com Center of mass, domain b.47.1.2
com Center of mass, domain g.15.1.1
com Center of mass of interface atoms, domain g.15.1.1
com Center of mass, domain g.3.13.1
com Center of mass of interface atoms, domain g.3.13.1

Geometric Parameters

RMSD A1-A2 1.03
Shared interface atoms 234 (83.3%)
Angle between green and yellow interface: 10.57
Angle between green and yellow domain: 28.23
Distance between center of mass of green and yellow interface (in Angstrom): 3.31
Distance between center of mass of green and yellow domain (in Angstrom) 11.42

Sequence Alignment of domain b.47.1.2



cgvpaiqpvlsglsrivngeeavpgswpwqvslqdktgFHFCggslinenwvvtaaHCGVttsdvvvagefdqgssseki
---------------ivggytcgantvpyqvsln--sgYHFCggslinsqwvvsaaHC-YKsgiqvrlgedninvvegne
                                      :###              ## ._                    

qklkiakvfknskynSLT-InnditllklstaasfsqtvsavclpsasddfaagttcvttgwgLtrYtnANTpdrlqqas
qfisasksivhpsynSNTL-nnDimliklksaaslnsrvasislp--tscasagtqclisgwgntkssgtsYpdvlkclk
               #.#    _                                        _  _  __.         

lpllsntnckkyWgtKikdamicag--asgvSSCMGDSggplvckkngawtlvgiVSWGSSTCststpGvyarvtalvnw
apilsdsscksaYpgQitsnmfcagyleggkDSCQGDSggpvvc----sgklqgiVSWGSGcaqknKpGVYtkvcnyvsw
            :  :               .##.###                 #####.__   _ #__          

vqqtlaan
ikqtiasn
Aligned interface residues 
. : #
 27 (77%)
Aligned, similar interface residues (with positive BLOSUM value) 
: #
 21 (60%)
Raw BLOSUM-Score for the latter residues 119
Meaning
    
Capital letters
 Residue interacts with domain A 
#
 Identical interacting residues 
:
 Residues are similar and interact 
.
 Residues are not similar and interact 
_
 Only one residue interacts
   

Sequences of domain g.15.1.1 and g.3.13.1



dslgreakcYNELNGCTYEYRPvcgtdgdTyPNecVlcFEnrKrqtsiliqksgPc 


seSskpccdQCSCTKSMPPKcRcSdirndfcyepck

Similarities between domain g.15.1.1 and g.3.13.1

Residue PairAtom MatchesBLOSUMScoreAvg.-Distance
Cys16-Cys24 ca cb bb bb bb sc sc sc 9 15.63 0.51
Thr17-Thr25 ca cb bb bb bb sc sc sc sc 5 12.44 0.52
Tyr18-Lys26 ca cb bb bb bb sc sc sc sc sc sc -2 8.74 0.62
Glu19-Ser27 ca cb bb bb bb sc sc sc sc 0 6.79 0.74
Gly15-Ser23 ca bb bb bb sc 0 3.71 0.77
Phe39-Cys22 cb sc sc sc sc sc sc sc -2 3.78 1.58
Tyr20-Met28 ca cb bb bb bb sc sc sc -1 3.71 1.61
Asn14-Ser35 sc sc sc sc 1 3.27 1.30
Asn33-Pro30 cb sc sc sc sc -2 2.93 1.24
Tyr10-Arg33 ca cb bb bb bb sc sc -2 2.80 1.80
Leu13-Arg33 bb sc sc sc sc -2 2.62 1.43
Arg21-Pro29 ca cb bb bb sc sc -2 1.97 2.01
Asn14-Ser23 bb bb 1 1.51 2.23
Arg21-Met28 bb sc -1 1.07 1.40
Tyr10-Lys31 sc sc -2 0.97 1.55
Asn14-Gln21 cb sc 0 0.93 1.60
Pro32-Met28 sc -2 0.80 0.59
Glu19-Thr25 sc -1 0.49 1.54
Pro22-Met28 sc -2 0.34 1.99
Glu19-Pro29 sc -1 0.34 1.99
Asn33-Pro29 ca -2 0.06 2.81
Total Score 74.90
SymbolAtom match between
ca C-alpha atoms within 3 A
cb C-beta atoms within 3 A
bb backbone atoms within 3 A
sc side chain atoms within 2 A
The score for each residue pair is simply its BLOSUM score (if positive) + the sum of atom pair scores.
The latter are between 0 and 1, with 0 for 3A distance or above
and 1 for exact coordinate matches, linearly interpolated.