ABAC Database

Movie generated with PyMOL

A: b.47.1.2 (red/blue)

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

B: b.42.4.1 (yellow)

View b.42.4.1 in Scoppi
PDB: 1avw (Search literature with GoPubMed)
FA: Kunitz (STI) inhibitors
SF: STI-like
SP: Soybean (Glycine max)

C: g.8.1.1 (green)

View g.8.1.1 in Scoppi
PDB: 1fak (Search literature with GoPubMed)
FA: Small Kunitz-type ihibitors & BPTI-like toxins
SF: BPTI-like
SP: Cow (Bos taurus)

	Center of mass, domain b.47.1.2
	Center of mass, domain b.42.4.1
	Center of mass of interface atoms, domain b.42.4.1
	Center of mass, domain g.8.1.1
	Center of mass of interface atoms, domain g.8.1.1

Geometric Parameters

RMSD A1-A2	1.01
Shared interface atoms	260 (93.2%)
Angle between green and yellow interface:	6.18
Angle between green and yellow domain:	12.16
Distance between center of mass of green and yellow interface (in Angstrom):	2.01
Distance between center of mass of green and yellow domain (in Angstrom)	8.13

Sequence Alignment of domain b.47.1.2

	Meaning
ivggytcaansipyqvsln-SgSHFCggslinsqwvvsaaHC-----yKsriqvrlgehnidvlegneqfinaakiithp ivggkvcpkgecpwqvlllvngaQLCggtlintiwvvsaaHCFDKIKnwrnliavlgehdlsehdgdeqsrrvaqviips _ _..# ## _ nFNGNtL-dnDimliklsspatlnsrvatvslp-----rscaaagteclisgwgntkssgSsYpsllqclkapvl----- tYvpGT-TnhDiallrlhqpvvltdhvvplclpertfsertlafvrfslvsgwgQll-dRgaTalelmvlnvprlmtqdc :__._ # _ __ . sdssckssypgQitgnmicvgfleggkDSCQGDSggpvvc----ngqlqgiVSWGYGCAqknkPGVYtkvcnyvnwiqqt lqqsrks---PniteymfcagysdgskDSCKGDSggphathyrgtwyltgiVSWGQGCAtvghfGVYtrvsqyiewlqkl __ ###:### ####.### _### iaan------------ mrseprpgvllrapfp

Aligned interface residues . : #	27 (72%)
Aligned, similar interface residues (with positive BLOSUM value) : #	22 (59%)
Raw BLOSUM-Score for the latter residues	132


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 b.42.4.1 and g.8.1.1

DFvldnegnplENggtyyilsditafggiraaptgnercpltvvqsrneldkgigtiisSPYRIRFiaeGHPlslkfdsf avimlcvgiptewsvvedlpegpavkigenkdamdgWfRlervsefnnyklvfCpqdkcgdigisidhddgtrrlvvskn kplvvqfqkld apdfcleppyDGPCRALHlRyfynakaglcqtfYYGGCLakrnnfEsaedcmrtc



DFvldnegnplENggtyyilsditafggiraaptgnercpltvvqsrneldkgigtiisSPYRIRFiaeGHPlslkfdsf 
avimlcvgiptewsvvedlpegpavkigenkdamdgWfRlervsefnnyklvfCpqdkcgdigisidhddgtrrlvvskn 
kplvvqfqkld 


apdfcleppyDGPCRALHlRyfynakaglcqtfYYGGCLakrnnfEsaedcmrtc

Similarities between domain b.42.4.1 and g.8.1.1

Residue Pair	BLOSUM	Score	Avg.-Distance
Arg563-Arg15	5	15.67	0.54
Pro561-Pro13	7	13.62	0.79
Tyr562-Cys14	-2	7.11	0.63
Ile564-Ala16	-1	5.70	0.86
Phe566-Tyr34	3	4.33	1.01
Arg565-Leu17	-2	3.62	1.45
Phe566-Tyr35	3	3.39	1.84
Pro572-Leu39	-3	3.02	1.49
His571-Tyr35	2	2.88	1.68
Glu512-Tyr34	-2	2.76	1.62
Ser560-Gly12	0	2.26	1.31
Ser560-Asp11	0	1.33	1.01
Phe566-His18	-1	1.29	1.71
Trp617-Leu39	-2	1.33	1.67
Asn513-Asp11	1	1.39	1.84
Pro572-Cys38	-3	1.01	1.49
Tyr562-Cys38	-2	0.90	1.64
Asn513-Tyr34	-2	0.79	2.41
Phe566-Leu17	0	0.55	1.36
Ile564-Gly36	-4	0.55	1.35
Asp501-Arg20	-2	0.35	1.96
Ile564-His18	-3	0.36	1.91
His571-Gly37	-2	0.35	1.95
Arg565-Tyr34	-2	0.38	1.86
His571-Leu39	-3	0.05	2.84
Phe502-Glu46	-3	0.03	2.91
Total Score		75.01

Symbol	Atom match between
	C-alpha atoms within 3 A
	C-beta atoms within 3 A
	backbone atoms within 3 A
	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.