Saturday 27 June 2015

primary and secondary structure prediction for APRT (human) protein sequence


APRT(human)
RecName: Full=Adenine phosphoribosyltransferase
Fasta format
>gi|114074|sp|P07741.2|APT_HUMAN RecName: Full=Adenine phosphoribosyltransferase; Short=APRT
MADSELQLVEQRIRSFPDFPTPGVVFRDISPVLKDPASFRAAIGLLARHLKATHGGRIDYIAGLDSRGFL
FGPSLAQELGLGCVLIRKRGKLPGPTLWASYSLEYGKAELEIQKDALEPGQRVVVVDDLLATGGTMNAAC
ELLGRLQAEVLECVSLVELTSLKGREKLAPVPFFSLLQYE
Primary structure prediction

1.    ProtParam

Physico-chemical parameters of a protein sequence (amino-acid and atomic compositions, isoelectric point, extinction coefficient, etc.

 
Number of amino acids: 180
 
Molecular weight: 19607.7
 
Amino acid composition: 

Ala (A)  16      8.9%
Arg (R)  12      6.7%
Asn (N)   1      0.6%
Asp (D)   9      5.0%
Cys (C)   3      1.7%
Gln (Q)   7      3.9%
Glu (E)  13      7.2%
Gly (G)  17      9.4%
His (H)   2      1.1%
Ile (I)   7      3.9%
Leu (L)  29     16.1%
Lys (K)   8      4.4%
Met (M)   2      1.1%
Phe (F)   8      4.4%
Pro (P)  11      6.1%
Ser (S)  11      6.1%
Thr (T)   6      3.3%
Trp (W)   1      0.6%
Tyr (Y)   4      2.2%
Val (V)  13      7.2%
Pyl (O)   0      0.0%
Sec (U)   0      0.0%
 
 (B)   0         0.0%
 (Z)   0         0.0%
 (X)   0         0.0%
 
 
Total number of negatively charged residues (Asp + Glu): 22
Total number of positively charged residues (Arg + Lys): 20
 
Atomic composition:
 
Carbon      C         885
Hydrogen    H        1423
Nitrogen    N         237
Oxygen      O         254
Sulfur      S           5
 
 
Extinction coefficients:
 
Extinction coefficients are in units of M-1 cm-1, at 280 nm measured in water.
 
Ext. coefficient    11585
Abs 0.1% (=1 g/l)   0.591, assuming all pairs of Cys residues form cystines
 
 
Ext. coefficient    11460
Abs 0.1% (=1 g/l)   0.584, assuming all Cys residues are reduced
 
 
Instability index:
 
The instability index (II) is computed to be 39.29
This classifies the protein as stable.
*****************************************************************************
2.    Compute pI/Mw
Compute the theoretical isoelectric point (pI) and molecular weight (Mw) from a UniProt Knowledgebase entry or for a user sequence
Theoretical pI/Mw: 5.75 / 19607.77
 
3.    ScanSitepI/Mw
Compute the theoretical pI and Mw, and multiple phosphorylation states
 
 
 
 
 
Protein: APRT (human)
# Phosphates
Molecular Weight
Isoelectric Point
0
19607.5431
5.78
1
19685.5071
5.49
2
19763.4711
5.29
3
19841.4351
5.12
4
19919.3991
4.99
5
19997.3631
4.87
6
20075.3271
4.77
7
20153.2911
4.68
8
20231.2551
4.59
 
 
Theoretical pI/Mw: 5.75 / 19607.77
*****************************************************************************
4.    ProtScale
Amino acid scale representation (Hydrophobicity, other conformational parameters
SEQUENCE LENGTH: 179

Using the scale Hphob. / Kyte& Doolittle, the individual values for the 20 amino acids are:

Ala:  1.800  Arg: -4.500  Asn: -3.500  Asp: -3.500  Cys:  2.500  Gln: -3.500 
Glu: -3.500  Gly: -0.400  His: -3.200  Ile:  4.500  Leu:  3.800  Lys: -3.900 
Met:  1.900  Phe:  2.800  Pro: -1.600  Ser: -0.800  Thr: -0.700  Trp: -0.900 
Tyr: -1.300  Val:  4.200  : -3.500  : -3.500  : -0.490 

Weights for window positions 1,..,9, using linear weight variation model:
   1     2     3     4     5     6     7     8     9   
1.00  1.00  1.00  1.00  1.00  1.00  1.00  1.00  1.00
edge                   center                   edge
 



Secondary structure prediction
1.    CFSSP
Chou & Fasman Secondary Structure Prediction Server
Name of the sequence is gi|114074|sp|P07741.2|APT_HUMAN RecName: Full=Adenine phosphoribosyltransferase; Short=APRT.
Sequence consists of 180 amino acids.
Target Sequence:
MADSELQLVE QRIRSFPDFP TPGVVFRDIS PVLKDPASFR AAIGLLARHL KATHGGRIDY IAGLDSRGFL
FGPSLAQELG LGCVLIRKRG KLPGPTLWAS YSLEYGKAEL EIQKDALEPG QRVVVVDDLL ATGGTMNAAC
ELLGRLQAEV LECVSLVELT SLKGREKLAP VPFFSLLQYE

Secondary Structure:
                   *         *         *         *         *        
Query 1   MADSELQLVEQRIRSFPDFPTPGVVFRDISPVLKDPASFRAAIGLLARHLKATHGGRIDY 60
Helix 1   HHHHHHHHHHHHH          HHHHHHHHHHHHHHHHHHHHHHHHHHHHHH        60
Sheet 1        EEEEEEEE       EEEEEE                                   60
Turns 1      T      TTTT     60

                   *         *         *         *         *        
Query 61  IAGLDSRGFLFGPSLAQELGLGCVLIRKRGKLPGPTLWASYSLEYGKAELEIQKDALEPG 120
Helix 61                HHHHHHHHHHHHH           HHHHHHHHHHHHHHHHHHHHHH 120
Sheet 61                    EEEEEEEE         EEE                       120
Turns 61       TT     T   TTT   TT           T      TT  120

                   *         *         *         *         *        
Query 121 QRVVVVDDLLATGGTMNAACELLGRLQAEVLECVSLVELTSLKGREKLAPVPFFSLLQYE 180
Helix 121 HHHHHHHHHH     HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH  180
Sheet 121 EEEEEEEEEE        EEEEEEEEEEEEEEEEEEEEE           EEEEEEEE   180
Turns 121 T            TTTT               180


Total Residues: H: 132   E: 64    T: 21  
       Percent: H: 73.3  E: 35.6  T: 11.7

2.    GOR
Garnier et al, 1996
        10        20        30        40        50        60        70
         |         |         |         |         |         |         |
MADSELQLVEQRIRSFPDFPTPGVVFRDISPVLKDPASFRAAIGLLARHLKATHGGRIDYIAGLDSRGFL
ccccchhhhhhhhcccccccccceeeeccccccccchhhhhhhhhhhhhhhhccccceeeeecccccccc
FGPSLAQELGLGCVLIRKRGKLPGPTLWASYSLEYGKAELEIQKDALEPGQRVVVVDDLLATGGTMNAAC
ccchhhhhhcchhhhhhcccccccceeceeechhhhhhhhhhhhhhhcccceeeeeeeeecccchhhhhh
ELLGRLQAEVLECVSLVELTSLKGREKLAPVPFFSLLQYE
Hhhhhhhhhhhhhhhhhhhhccccccccccccccccccee
 
Sequence length :   180
GOR4 :
   Alpha helix     (Hh) :    77 is  42.78%
310  helix       (Gg) :     0 is   0.00%
   Pi helix        (Ii) :     0 is   0.00%
   Beta bridge     (Bb) :     0 is   0.00%
   Extended strand (Ee) :    25 is  13.89%
   Beta turn       (Tt) :     0 is   0.00%
   Bend region     (Ss) :     0 is   0.00%
   Random coil     (Cc) :    78 is  43.33%
Ambiguous states (?)  :     0 is   0.00%
   Other states         :     0 is   0.00%



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3.    Jpred
A consensus method for protein secondary structure prediction at University of Dundee
PDB
Chain
Description
Blast E-value
B
Adenine phosphoribosyltransferase

2e-98

******************************************************************************

4.    PSIpred
Various protein structure prediction methods at Bloomsbury Centre for Bioinformatics

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5.    SOPMA
Geourjon and Delage, 1995

        10        20        30        40        50        60        70
         |         |         |         |         |         |         |
MADSELQLVEQRIRSFPDFPTPGVVFRDISPVLKDPASFRAAIGLLARHLKATHGGRIDYIAGLDSRGFL
hhhhhhhhhhhhhtccccccccceeeeccccccccchhhhhhhhhhhhhhhhtttcceeeeeecccttce
FGPSLAQELGLGCVLIRKRGKLPGPTLWASYSLEYGKAELEIQKDALEPGQRVVVVDDLLATGGTMNAAC
ecchhhhhhtcceeeeettccccccccehhhhhhhtchhhhhhhhhccttceeeeeehhhhttcchhhhh
ELLGRLQAEVLECVSLVELTSLKGREKLAPVPFFSLLQYE
hhhhhhhhhhhhhhhhhhhhhccccccccccceeeeehhc
Sequence length :   180
SOPMA :
   Alpha helix     (Hh) :    83 is  46.11%
310  helix       (Gg) :     0 is   0.00%
   Pi helix        (Ii) :     0 is   0.00%
   Beta bridge     (Bb) :     0 is   0.00%
   Extended strand (Ee) :    29 is  16.11%
   Beta turn       (Tt) :    14 is   7.78%
   Bend region     (Ss) :     0 is   0.00%
   Random coil     (Cc) :    54 is  30.00%
Ambiguous states (?)  :     0 is   0.00%
   Other states         :     0 is   0.00%




Parameters :
   Window width         :  17
   Similarity threshold :   8

   Number of states     :   4

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