Movie generated with PyMOL

A: b.47.1.2 (red/blue)

View b.47.1.2 in Scoppi
PDB: 1ldt (Search literature with GoPubMed)
FA: Eukaryotic proteases
SF: Trypsin-like serine proteases
SP: Pig (Sus scrofa)/Pig (Sus scrofa)

B: g.15.1.1 (yellow)

View g.15.1.1 in Scoppi
PDB: 1ldt (Search literature with GoPubMed)
FA: Animal Kazal-type inhibitors
SF: Ovomucoid/PCI-1 like inhibitors
SP: Medicinal leech (Hirudo medicinalis)

C: g.22.1.1 (green)

View g.22.1.1 in Scoppi
PDB: 1eai_2
FA: ATI-like
SF: Serine proterase inhibitors
SP: Pig roundworm (Ascaris suum)
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.22.1.1
com Center of mass of interface atoms, domain g.22.1.1

Geometric Parameters

RMSD A1-A2 1.13
Shared interface atoms 231 (83.1%)
Angle between green and yellow interface: 4.85
Angle between green and yellow domain: 17.26
Distance between center of mass of green and yellow interface (in Angstrom): 3.76
Distance between center of mass of green and yellow domain (in Angstrom) 8.02

Sequence Alignment of domain b.47.1.2



ivggytcaansipyqvsln-----sgsHFCggslinsqwvvsaaHC--YKsriqvrlgehnidvlegneqfinaakiith
vvggteaqrnswpsqislqYrsgsswahTCggtlirqnwvmtaaHCvdReltfrvvvgehnlnqndgteqyvgvqkivvh
                           _.#              ##  ._                               

pnfngntL--dndimliklsspatlnsrvatvslp--rscaaagteclisgwgntksSgssYpsllqclkapvl--sdss
pywntddVAagydiallrlaqsvtlnsyvqlgvlpragtilannspcyitgwgLtr-TNGqLaqtlqqaylptvdyaics
       :                                             _   :__ .                   

ckssypgQitgnmicvgfleggkDSCQGDSggpvvc----ngqlqgiVSWGY--GCaQknkpGVYtkvcnyvnwiqqtia
sssYWGSTvknsmvcag-gdgvrsGCQGDSggplhclvngqyavhgvTSFVSRLgCnvtrKpTvftrvsayiswinnvia
   ____.               _.#####                 .#:..  _# _  _ .__                

an
sn
Aligned interface residues 
. : #
 22 (64%)
Aligned, similar interface residues (with positive BLOSUM value) 
: #
 13 (38%)
Raw BLOSUM-Score for the latter residues 72
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.22.1.1



KkVCACPKILKpvcgsdgrtyANscIarcngvsiksegscptgiln 


gqescgpnevwTeCTGCEMkcgpdENTPCPLMCRRpscEcSPGRgmRrtndgkcipasqcp

Similarities between domain g.15.1.1 and g.22.1.1

Residue PairAtom MatchesBLOSUMScoreAvg.-Distance
Pro7I-Pro30 ca cb bb bb bb sc sc sc sc 7 14.42 0.53
Cys6I-Cys29 ca cb bb bb bb sc sc 9 13.99 0.86
Cys6I-Cys17 sc 9 9.88 0.37
Lys8I-Leu31 ca cb bb bb bb sc sc sc sc sc -2 8.57 0.43
Ile9I-Met32 ca cb bb bb bb sc sc sc sc sc 1 8.35 0.79
Ala5I-Pro28 ca cb bb bb sc -1 2.64 1.42
Lys11I-Arg34 bb 2 2.47 1.59
Asn23I-Arg34 ca cb sc sc 0 1.90 1.58
Lys1I-Pro42 ca bb bb sc -1 1.76 1.68
Leu10I-Cys33 ca cb bb bb sc -1 1.56 2.07
Ile26I-Gly16 bb bb sc -4 1.45 1.55
Lys1I-Ser41 bb sc 0 1.46 0.81
Ala22I-Thr15 ca bb bb 0 1.29 1.71
Lys11I-Cys33 bb bb -3 0.79 1.81
Asn23I-Thr15 bb bb 0 0.68 1.99
Ala5I-Thr27 bb sc 0 0.77 1.85
Ala22I-Arg34 bb -1 0.51 1.46
Ile26I-Cys17 ca -1 0.38 1.85
Asn23I-Met32 sc -2 0.43 1.71
Ile26I-Glu18 bb -3 0.26 2.23
Total Score 73.55
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.