蛋白质结构预测

鼠伤寒沙门氏菌H-1鞭毛蛋白的结构预测

蛋白质序列截图

>sp|P06179|FLIC_SALTY Flagellin OS=Salmonella typhimurium GN=fliC PE=1 SV=4

MAQVINTNSLSLLTQNNLNKSQSALGTAIERLSSGLRINSAKDDAAGQAIANRFTANIKG LTQASRNANDGISIAQTTEGALNEINNNLQRVRELAVQSANSTNSQSDLDSIQAEITQRL NEIDRVSGQTQFNGVKVLAQDNTLTIQVGANDGETIDIDLKQINSQTLGLDTLNVQQKYK VSDTAATVTGYADTTIALDNSTFKASATGLGGTDQKIDGDLKFDDTTGKYYAKVTVTGGT GKDGYYEVSVDKTNGEVTLAGGATSPLTGGLPATATEDVKNVQVANADLTEAKAALTAAG VTGTASVVKMSYTDNNGKTIDGGLAVKVGDDYYSATQNKDGSISINTTKYTADDGTSKTA LNKLGGADGKTEVVSIGGKTYAASKAEGHNFKAQPDLAEAAATTTENPLQKIDAALAQVD TLRSDLGAVQNRFNSAITNLGNTVNNLTSARSRIEDSDYATEVSNMSRAQILQQAGTSVL AQANQVPQNVLSLLR

等电点、相对分子质量计算

10 20 30 40 50 60 MAQVINTNSL SLLTQNNLNK SQSALGTAIE RLSSGLRINS AKDDAAGQAI ANRFTANIKG

70 80 90 100 110 120 LTQASRNAND GISIAQTTEG ALNEINNNLQ RVRELAVQSA NSTNSQSDLD SIQAEITQRL

130 140 150 160 170 180 NEIDRVSGQT QFNGVKVLAQ DNTLTIQVGA NDGETIDIDL KQINSQTLGL DTLNVQQKYK

190 200 210 220 230 240

VSDTAATVTG YADTTIALDN STFKASATGL GGTDQKIDGD LKFDDTTGKY YAKVTVTGGT

250 260 270 280 290 300 GKDGYYEVSV DKTNGEVTLA GGATSPLTGG LPATATEDVK NVQVANADLT EAKAALTAAG

310 320 330 340 350 360 VTGTASVVKM SYTDNNGKTI DGGLAVKVGD DYYSATQNKD GSISINTTKY TADDGTSKTA

370 380 390 400 410 420 LNKLGGADGK TEVVSIGGKT YAASKAEGHN FKAQPDLAEA AATTTENPLQ KIDAALAQVD

430 440 450 460 470 480 TLRSDLGAVQ NRFNSAITNL GNTVNNLTSA RSRIEDSDYA TEVSNMSRAQ ILQQAGTSVL

490

AQANQVPQNV LSLLR

蛋白质参数预测

Number of amino acids: 495

Molecular weight: 51611.7

Theoretical pI: 4.79

Amino acid composition: Ala (A) 61 12.3% Arg (R) 14 2.8% Asn (N) 42 8.5% Asp (D) 37 7.5% Cys (C) 0 0.0% Gln (Q) 32 6.5% Glu (E) 17 3.4% Gly (G) 43 8.7% His (H) 1 0.2% Ile (I) 25 5.1% Leu (L) 42 8.5% Lys (K) 28 5.7% Met (M) 3 0.6% Phe (F) 6 1.2% Pro (P) 5 1.0% Ser (S) 38 7.7% Thr (T) 57 11.5% Trp (W) 0 0.0%

Tyr (Y) 12 2.4% Val (V) 32 6.5% 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): 54 Total number of positively charged residues (Arg + Lys): 42

Atomic composition:

Carbon C 2194 Hydrogen H 3597 Nitrogen N 641 Oxygen O 785 Sulfur S 3

Formula: C2194H3597N641O785S3 Total number of atoms: 7220

Extinction coefficients:

This protein does not contain any Trp residues. Experience shows that this could result in more than 10% error in the computed extinction coefficient.

Extinction coefficients are in units of M-1 cm-1, at 280 nm measured in water.

Ext. coefficient 17880 Abs 0.1% (=1 g/l) 0.346

Estimated half-life:

The N-terminal of the sequence considered is M (Met). The estimated half-life is: 30 hours (mammalian reticulocytes, in vitro). >20 hours (yeast, in vivo).

>10 hours (Escherichia coli, in vivo).

Instability index:

The instability index (II) is computed to be 24.98 This classifies the protein as stable.

Aliphatic index: 83.86

Grand average of hydropathicity (GRAVY): -0.395

氨基酸组成、电荷分布、疏水区域、跨膜区域等 SAPS. Version of April 11, 1996. Date run: Mon Nov 22 12:41:22 2010

SAPS (Statistical Analysis of Protein Sequences) evaluates by statistical

criteria a wide variety of protein sequence properties. A full description

of the methods is given in the paper referred to below. The output is or-

ganized in the following sections: file name, sequence printout, composi-

tional analysis, charge distributional analysis (charge clusters; high

scoring (un)charged segments; charge runs and patterns), distribution of

other amino acid types (high scoring hydrophobic and transmembrane seg-

ments; cysteine spacings), repetitive structures (in the amino acid alpha-

bet and in a 11-letter reduced alphabet), multiplets (counts, spacings,

and clusters in the amino acid and charge alphabets), periodicity

analysis, spacing analysis. Each section is annotated below under its sec-

tion title.

The SAPS program was developed in the group of Prof. Samuel Karlin at

Stanford University. Correspondence relating to SAPS should be addressed

to either Volker Brendel or Samuel Karlin at the Department of Mathemat-

ics, Stanford University, Stanford CA 94305, U.S.A.; phone: (415) 723-

2209; fax: (415) 725-2040; email: volker@gnomic.stanford.edu. Users of the

program should cite the following reference: Brendel, V., Bucher, P.,

Nourbakhsh, I., Blaisdell, B.E., Karlin, S. (1992) Methods and algorithms

for statistical analysis of protein sequences. Proc. Natl. Acad. Sci. USA

89: 2002-2006.

Protein 1 (File: wwwtmp/.SAPS.19208.6283.seq)

SWISS-PROT ANNOTATION: ID unknown

DE unknown, 549 bases, 502107F4 checksum.

number of residues: 545; molecular weight: 57.1 kdal

1 SPPFLICSAL TYFLAGELLI NSSALMNELL ATYPHIMRIM GNFLICPESV MAQVINTNSL

61 SLLTQNNLNK SQSALGTAIE RLSSGLRINS AKDDAAGQAI ANRFTANIKG LTQASRNAND

121 GISIAQTTEG ALNEINNNLQ RVRELAVQSA NSTNSQSDLD SIQAEITQRL NEIDRVSGQT

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