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Build a model for the targetusing information from template structures

Evaluate the model

model

OK?

NO

YES

TEMPLATE

STRUCTURE

...

KLTDSQNF

DEYMKALGV

GFATRQV G

NVTKPTVIISQEGG

KVV.

.

.

TARGET

SEQUENCE

Align target sequence with

template structures

Select templates

ALIGNMENT

...KLTDSQNFDEYMKALGVGFATRQVGNVTKPTVIISQEGGKVV...

...KLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDLVT...

TARGET

TEMPLATE

MODEL

TARGET

START

END

0 20 40 60 80 100 120

-2.4

-1.6

-0.8

0.0

0.8

blbp.B99990001

RESIDUE INDEX

PSEUDOE

NERGY

Identify related structures

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GKIFYERGFQGHCYESDC-NLQP

GKIFYERG---RCYESDCPNLQP

STRUCTURE

SEQUENCE

G-

K-I

-F

-Y-

E-R-G-R-

C-Y-

E

-

S-D-

C-P-N

-L-Q

-P

TARGET-TEMPLATE

ALIGNMENT

EXTRACT SPATIAL

RESTRAINTS

SATISFY SPATIAL

RESTRAINTS

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a

Model - Target

Template - Target

Template - Target difference

Alignment error

0 20 40 60 80 1000

20

40

60

80

100

% Sequence identity

%S

tructureoverla

p

0 20 40 60 80 1000

20

40

60

80

100

b

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0 50 100 150 200 250 300

2.0

1.0

0.0

1.0

Residue number

ProsaIIe

nergy

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