LOOPP parallel driver v5.0 (06/13/08 15:45 EDT) with LOOPP v3.0 (compiled Jul 11 2008 17:20:20)
     [NEWSABLE]     [HSHFL]     [ENE]     [NEWALICHOICE]

This is HTML output, the other options are plain text, CASP AL and CASP TS formats.

If an error occured during execution it is logged in plain text version only,
there is no need to look for an error if this file ends with 'DONE' statement.

STARTING:Fri Aug 08 01:15:25 2008 EST

INPUT:
   sim_min =  40.0% minimum sequence identity (%)
   sim_max =  80.0% maximum sequence identity (%)
   len_dif =  20.0% maximum length difference (% of query sequence length) 
                    between query and homolog
   nmax    =  1     maximum number of homologous sequences (including query sequence)
   maxout  =  5     maximum number of outputted matches
   strict  =  0     all alignments will be accepted from LOOPP results
                    for homologs; they will be translated to query sequence 
                    alignments using BLAST results
   casp    =  5     maximum number of outputted matches in CASP format
   align   =  'g'   only corresponding global alignments will be reported
   maxdiff =  50.0% only alignments differing no more than  50.0% from the query
                    sequence will be reported, or when reject=0, corresponding local
                    alignments will be reported
   reject  =  1     alignments shorter more than  50.0% from the query sequence
                    will be rejected
   seccut  =  0.00  structures with sec. str. score below seccut will be rejected
    secdb  = 1      type of secondary structure description: 1 - DSSB, 0 - phi/psi map
   tasktb  = 11111111111111111111  type of initial calculations
   pdbcut  =  60.0% pdb sequence identity threshold (%)
  pdbstop  = 0      stop if PDB structure with similarity above pdbcut found
  domains  = 0      query sequence will be decomposed into putative domains if =1
   maxall  = 200      maximum number of models evaluated in the second stage       
   refstr  = 0      if equal to 1 rmsd distances between all hits and a reference structure
                   will be reported
   maxpdb  = 5      number of top PDB hits added to the second stage scoring 
   maxdyn  = 5      number of dynamic domain entries from database added to the second stage scoring 
 beautify  = 0      use pdb beautifier 
rmsdtables  = 1     compute rmsd tables between hits 

   local LOOPP/BLAST database will be used

   input file T0395
    --> 304 residues, sequence name: T0395
   Database: T:\CBSU\blastdb\20080108\nr


 -> 0 homolog sequences with sequence identity from  40.0% to  80.0% satisfying length constraints found
 -> 0 representatives will be used in search (nmax=1 including query sequence)
 Histogram of all homolog sequences found by BLAST (e-value cutoff 0.01, length constr.) by sequence identity:
00%-10% 10%-20% 20%-30% 30%-40% 40%-50% 50%-60% 60%-70% 70%-80% 80%-90% 90%-100%
0 0 8 10 0 0 0 0 0 1
RESULTS secondary structure prediction shows 31.25% helical, 9.54% extended and 59.21% loops/other homologs/domains used: 0 query sequence T0395 all homologs found total number of entries processed: 165 Amino acid profile calculated versus nr database is here (Amino acid profile BLAST run output is here) Results of BLAST versus pdbaa database using the nr profile are here (Results of BLAST versus pdbaa database with no profile are here) Transitive BLAST output calculted with this profile is here Phase 1 scoring data: input and output Phase 2 scoring data: input and output HITS: table legend no name SCOP SCOP_stat confidence score homolog hits length seq. align ENE TE13 old CGenergy SIFT2 tma1 tma2 |-------OPTM------| |-------SEQ (global)-------| |-------SEQ (local)-------| |-------TRD (global)-------| |-------TRD (local)-------| |-------TRS (global)-------| |-------TRS (local)-------| |-------TSS (global)-------| |-------TSS (local)-------| |-------TSC (global)-------| |-------TSC (local)-------| |-------PSM (global)-------| |-------PSM (local)-------| |-------SRF (global)-------| |-------SRF (local)-------| |-------TBLS------| |-------KMER------| |-------CFTR------| |-------TBSS------| |-------SBLS------| sec. str. (%) ident. src. all-atom all-atom score all-atom all-atom all-atom all-atom r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy pos. comp. 1 2O8V_A not_found 49.49.49.3 NONE -80.308 0 1 73.68% 17.24% OPTM -568.360 -415.630 1.961 0.498 0.750 0.807 0.817 33.380 -56.6 0.640 17.000 8.5 0.180 -1.500 -113.0 1.460 1.500 13.6 1.720 -0.200 -56.2 2.600 9.090 46.4 3.460 11.710 -41.7 11.120 33.040 -19.8 12.200 34.510 -98.5 -30.000 43.000 -110.0 -30.000 47.000 -167.0 1.880 46.000 54.0 6.450 38.000 -102.0 2.150 25.000 29.0 6.400 37.000 -122.0 5.000 -11.4 -1.510 -14.1 0.000 -9.3e+061 5.000 -11.0 0.041 -2.0 0.25 0.85 2 2GOY_A not_found 49.49.49.3 NONE -80.572 0 1 72.37% 15.56% OPTM -563.290 -278.490 1.877 0.519 0.688 0.802 0.813 30.000 -54.4 1.380 24.500 31.0 5.990 69.000 -177.5 0.200 3.670 31.4 0.940 1.340 -71.6 2.130 14.480 65.0 4.600 11.290 -63.1 7.950 33.430 3.2 12.530 27.580 -90.0 -30.000 53.000 -104.0 -30.000 47.000 -155.0 3.290 106.000 68.0 9.290 72.000 -118.0 -3.070 17.000 68.0 5.120 23.000 -106.0 5.000 -12.2 -0.256 -21.7 0.000 -9.3e+061 5.000 -13.3 -0.602 -3.7 0.46 0.85 3 2OQ2_A not_found 49.49.49.3 NONE -80.583 0 1 79.93% 15.45% OPTM -543.152 -345.670 2.187 0.389 0.758 0.827 0.843 34.660 -56.3 1.540 17.000 -41.0 5.990 71.000 -181.0 1.240 -0.520 -2.8 0.300 -2.700 -58.7 1.810 0.320 36.2 2.270 7.260 -43.5 6.030 29.110 -25.3 10.920 33.990 -96.5 -30.000 38.000 -121.0 -30.000 51.000 -171.0 3.320 39.000 24.0 12.590 75.000 -134.0 1.880 18.000 -47.0 4.930 16.000 -123.0 5.000 -15.4 -1.675 -13.2 0.000 -9.3e+061 5.000 -15.4 0.415 -5.5 0.34 0.89 4 1B8X_A c.47.1.5 72.3.3.1 NONE -999.000 0 1 76.32% 13.79% OPTM -357.298 -341.110 1.137 0.282 0.549 0.644 0.713 13.110 -38.0 0.200 -25.000 -49.5 -0.210 -2.500 -125.0 0.910 -0.190 -16.1 2.590 4.150 -76.2 0.160 1.860 22.6 3.460 3.900 -57.4 2.320 11.710 -36.6 9.600 24.850 -102.6 -30.000 21.000 -130.0 -30.000 28.000 -173.0 0.020 -2.000 41.0 0.490 10.000 -68.0 -0.330 9.000 44.0 3.590 -4.000 -101.0 5.000 -0.2 1.861 -21.8 0.000 -9.3e+061 5.000 -0.1 0.447 0.1 0.44 0.82 5 1SUI_A c.66.1.1 72.7.7.3 NONE -999.000 0 1 59.54% 11.21% OPTM -507.063 -329.860 0.909 0.388 0.456 0.679 0.693 4.900 -32.5 1.580 52.000 23.0 0.610 3.000 -104.5 0.180 -3.050 26.4 1.100 3.600 -53.7 0.220 2.540 69.6 0.490 -2.170 -33.8 6.660 13.310 4.7 6.590 3.480 -71.6 -30.000 25.000 -98.0 -30.000 4.000 -142.0 1.730 35.000 82.0 0.580 10.000 -53.0 0.850 4.000 23.0 2.550 14.000 -101.0 5.000 -0.4 1.052 -19.4 -63.000 291.0 5.000 -0.4 0.505 1.1 0.68 0.71 RMSD table between hits (RMSDs are shaded according to similarity, up to 10Å )

1

2

3

4

5

1

0.00

7.42

10.34

17.40

20.69

2

7.42

0.00

11.32

17.90

19.02

3

10.34

11.32

0.00

18.99

19.36

4

17.40

17.90

18.99

0.00

19.69

5

20.69

19.02

19.36

19.69

0.00



Similarity table for hits: percentage of chain fitting below 3Å RMSD
(Cells are shaded according to similarity starting at 30%)

1

2

3

4

5

1

100.00

32.58

32.75

11.68

16.22

2

32.58

100.00

33.33

11.94

10.90

3

32.75

33.33

100.00

11.68

11.42

4

11.68

11.94

11.68

100.00

9.63

5

16.22

10.90

11.42

9.63

100.00



Similarity table for hits: percentage of chain fitting below 6Å RMSD
(Cells are shaded according to similarity starting at 50%)

1

2

3

4

5

1

100.00

67.87

63.32

16.75

22.07

2

67.87

100.00

66.67

17.41

25.12

3

63.32

66.67

100.00

20.56

34.25

4

16.75

17.41

20.56

100.00

17.11

5

22.07

25.12

34.25

17.11

100.00





ALIGNMENTS

--> hit 1 [All-atom model (PDB)] [view all-atom model (PDB) with Chime] [PIR alignment file] [PDB file (backbone only)] [view PDB file (backbone only) with Chime] [hit list]


  secondary structure: 38.60% helical,  9.65% extended, 51.75% loops/other (query: 31.25%  9.54% 59.21%)

  SCOP classification: 


 name                SCOP           SCOP_stat         confidence    score homolog  hits  length   seq.   align    ENE             TE13        old        CGenergy      SIFT2        tma1         tma2      |-------OPTM------| |-------SEQ  (global)-------| |-------SEQ   (local)-------| |-------TRD  (global)-------| |-------TRD   (local)-------| |-------TRS  (global)-------| |-------TRS   (local)-------| |-------TSS  (global)-------| |-------TSS   (local)-------| |-------TSC  (global)-------| |-------TSC   (local)-------| |-------PSM  (global)-------| |-------PSM   (local)-------| |-------SRF  (global)-------| |-------SRF   (local)-------| |-------TBLS------| |-------KMER------| |-------CFTR------| |-------TBSS------| |-------SBLS------|  sec. str.
                                                                                          (%)    ident.  src.    all-atom      all-atom      score      all-atom     all-atom     all-atom     all-atom   r-energy    energy    zscore  r-energy    energy    zscore  r-energy    energy    zscore  r-energy    energy    zscore  r-energy    energy    zscore  r-energy    energy    zscore  r-energy    energy    zscore  r-energy    energy    zscore  r-energy    energy    zscore  r-energy    energy    zscore  r-energy    energy    zscore  r-energy    energy    zscore  r-energy    energy    zscore  r-energy    energy    zscore  r-energy    energy  r-energy    energy  r-energy    energy  r-energy    energy  r-energy    energy  r-energy    energy    pos. comp.
2O8V_A               not_found     49.49.49.3             NONE   -80.308     0       1  73.68%  17.24%   OPTM     -568.360     -415.630        1.961        0.498        0.750        0.807        0.817     33.380     -56.6     0.640    17.000       8.5     0.180    -1.500    -113.0     1.460     1.500      13.6     1.720    -0.200     -56.2     2.600     9.090      46.4     3.460    11.710     -41.7    11.120    33.040     -19.8    12.200    34.510     -98.5   -30.000    43.000    -110.0   -30.000    47.000    -167.0     1.880    46.000      54.0     6.450    38.000    -102.0     2.150    25.000      29.0     6.400    37.000    -122.0     5.000     -11.4    -1.510     -14.1     0.000 -9.3e+061     5.000     -11.0     0.041      -2.0    0.25  0.85

alignment source: OPTM
 +++ there is a problem with all-atom model, click here for details
            HHH-----HHHHHHHHHHHHHHHHHHHHHHHHHHH------EEEEE----HHHHHHHHHHHHH-----------------
Query:   16 SYLQIAAESDSIIAQTQRAINTTKSILINETFPKWSPLNGEISFSYNGGKDCQVLLLLYLSCLWEYYIVKLSQSQFDGKF   95
Sbjct:    7 NALNELPKVDRILALAETNAELEKLDAEGRVAWALDNLPGEYVLSSSFGIQAAVSLHLVNQIRPD---------------   71
            HH----HHHHHHH-HHHHHHH----HHHHHHHHH------EEEE------HHHHHHHHHHH----               

            --------EEEEE------HHHHHHHHHHHHH-----EE---               --HHHHHHHHHHHHHH--     
Query:   96 HRFPLTKLPTVFIDHDDTFKTLENFIEETSLRYSLSLYESDR---------------DKCETMAEAFETFLQVFP-----  155
Sbjct:   72 -------IPVILTDTGYLFPETYRFIDELTDKLKLNLKVYRATESAAWQEARYGKLWEQGVEGIEKYNDINKVEPMNRAL  144
                   EEEE-------HHHHHHHHHHHHH---EEEE------HHHHHHH-------HHHHHHHHHHHH-HHHHHHHHH

               --EEEEEE--------------EE-------EEEEE-HH---HHHHHHHHHH-------------------------
Query:  156 ---ETKAIVIGIRHTDPFGEHLKPIQKTDANWPDFYRLQPLLHWNLANIWSFLLYSNEPICELYRYGFTSLGNVEETLPN  232
Sbjct:  145 KELNAQTWFAGLRREQSGSRANLPVLAIQRGV---FKVLPIIDWDNRTIYQYLQKHGLKYHPLWDEGYLSVGDTHTT---  218
            H----EEEE---------------EEE----E   EE-------HHHHHHHHHH-----------------------   

            ---------------
Query:  233 PHLRKDKNSTPLKLN  247
Sbjct:  219 ---RKLKRECGLHEG  230
               -----------G

224 residues (73.68%) of query sequence aligned


--> hit 2 [All-atom model (PDB)] [view all-atom model (PDB) with Chime] [PIR alignment file] [PDB file (backbone only)] [view PDB file (backbone only) with Chime] [hit list] secondary structure: 38.46% helical, 9.05% extended, 52.49% loops/other (query: 31.25% 9.54% 59.21%) SCOP classification: name SCOP SCOP_stat confidence score homolog hits length seq. align ENE TE13 old CGenergy SIFT2 tma1 tma2 |-------OPTM------| |-------SEQ (global)-------| |-------SEQ (local)-------| |-------TRD (global)-------| |-------TRD (local)-------| |-------TRS (global)-------| |-------TRS (local)-------| |-------TSS (global)-------| |-------TSS (local)-------| |-------TSC (global)-------| |-------TSC (local)-------| |-------PSM (global)-------| |-------PSM (local)-------| |-------SRF (global)-------| |-------SRF (local)-------| |-------TBLS------| |-------KMER------| |-------CFTR------| |-------TBSS------| |-------SBLS------| sec. str. (%) ident. src. all-atom all-atom score all-atom all-atom all-atom all-atom r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy pos. comp. 2GOY_A not_found 49.49.49.3 NONE -80.572 0 1 72.37% 15.56% OPTM -563.290 -278.490 1.877 0.519 0.688 0.802 0.813 30.000 -54.4 1.380 24.500 31.0 5.990 69.000 -177.5 0.200 3.670 31.4 0.940 1.340 -71.6 2.130 14.480 65.0 4.600 11.290 -63.1 7.950 33.430 3.2 12.530 27.580 -90.0 -30.000 53.000 -104.0 -30.000 47.000 -155.0 3.290 106.000 68.0 9.290 72.000 -118.0 -3.070 17.000 68.0 5.120 23.000 -106.0 5.000 -12.2 -0.256 -21.7 0.000 -9.3e+061 5.000 -13.3 -0.602 -3.7 0.46 0.85 alignment source: OPTM HHHHHHHHHHHHHHHHHHHHHHHH------EEEEE----HHHHHHHHHHHHH-------------------------EEE Query: 27 IIAQTQRAINTTKSILINETFPKWSPLNGEISFSYNGGKDCQVLLLLYLSCLWEYYIVKLSQSQFDGKFHRFPLTKLPTV 106 Sbjct: 30 LPALASSLADKSPQDILKAAFEHFGD---ELWISFSGAED--VVLVDMAWKLNR---------------------NVKVF 83 HHHHHHH----HHHHHHHHHHHH--- EEEE------H HHHHHHHHH--- --EEE EE------HHHHHHHHHHHHH-----EE-----HHHHHHHHHH HHHH-- --EEEEEE- Query: 107 FIDHDDTFKTLENFIEETSLRYSLSLYESDRDKCETMAEAFET-----FLQVFP-----------------ETKAIVIGI 164 Sbjct: 84 SLDTGRLHPETYRFIDQVREHYGIAIDVLSPD-PRLLEPLVKEKGLFSFYRDGHGECCGIRKIEPLKRKLAGVRAWATGQ 162 E------HHHHHHHHHHHHHH----EEE---H HHHHHHHHHH---HHHHH--HHHHHHH-HHHHHHHHH---EEE---- - ------------EE------- EEEEE-HH---HHHHHHHHHH-------------------------------- Query: 165 R-HTDPFGEHLKPIQKTDANWPD----FYRLQPLLHWNLANIWSFLLYSNEPICELYRYGFTSLGNVEETLPNPHLRKDK 239 Sbjct: 163 RRDQSPGTRSQVAVLEIDGAFSTPEKPLYKFNPLSSMTSEEVWGYIRMLELPYNSLHERGYISIGC--EPCTRPVL---P 237 -------------EEE-----------EEE-------HHHHHHHHHH------------------- -------- - ------------ Query: 240 NSTPLKLNFEWE 251 Sbjct: 238 NQHEREGRWWWE 249 -----------E 220 residues (72.37%) of query sequence aligned
--> hit 3 [All-atom model (PDB)] [view all-atom model (PDB) with Chime] [PIR alignment file] [PDB file (backbone only)] [view PDB file (backbone only) with Chime] [hit list] secondary structure: 36.00% helical, 10.40% extended, 53.60% loops/other (query: 31.25% 9.54% 59.21%) SCOP classification: name SCOP SCOP_stat confidence score homolog hits length seq. align ENE TE13 old CGenergy SIFT2 tma1 tma2 |-------OPTM------| |-------SEQ (global)-------| |-------SEQ (local)-------| |-------TRD (global)-------| |-------TRD (local)-------| |-------TRS (global)-------| |-------TRS (local)-------| |-------TSS (global)-------| |-------TSS (local)-------| |-------TSC (global)-------| |-------TSC (local)-------| |-------PSM (global)-------| |-------PSM (local)-------| |-------SRF (global)-------| |-------SRF (local)-------| |-------TBLS------| |-------KMER------| |-------CFTR------| |-------TBSS------| |-------SBLS------| sec. str. (%) ident. src. all-atom all-atom score all-atom all-atom all-atom all-atom r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy pos. comp. 2OQ2_A not_found 49.49.49.3 NONE -80.583 0 1 79.93% 15.45% OPTM -543.152 -345.670 2.187 0.389 0.758 0.827 0.843 34.660 -56.3 1.540 17.000 -41.0 5.990 71.000 -181.0 1.240 -0.520 -2.8 0.300 -2.700 -58.7 1.810 0.320 36.2 2.270 7.260 -43.5 6.030 29.110 -25.3 10.920 33.990 -96.5 -30.000 38.000 -121.0 -30.000 51.000 -171.0 3.320 39.000 24.0 12.590 75.000 -134.0 1.880 18.000 -47.0 4.930 16.000 -123.0 5.000 -15.4 -1.675 -13.2 0.000 -9.3e+061 5.000 -15.4 0.415 -5.5 0.34 0.89 alignment source: OPTM +++ there is a problem with all-atom model, click here for details -----HHHHHHHHHHHHH HHHHHHHHHHHHHH------EEEEE----HHHHHHHHHHHHH------------------- Query: 19 QIAAESDSIIAQTQRAIN-TTKSILINETFPKWSPLNGEISFSYNGGKDCQVLLLLYLSCLWEYYIVKLSQSQFDGKFHR 97 Sbjct: 9 DIIVTQEQLDHWNEQLIKLETPQEIIAWSIVTFPH-----LFQTTAFGLTGLVTIDMLSKLSEKYYM------------- 70 -EEEHHHHHHHHHHH-----HHHHHHHHHHH---E EEE----HHHHHHHHHHHHH------- ------EEEEE------HHHHHHHHHHHHH- ----EE-----H HHHH HHHHH Query: 98 FPLTKLPTVFIDHDDTFKTLENFIEETSLRY----SLSLYESDRDKC----------------------ETMA--EAFET 149 Sbjct: 71 -----PELLFIDTLHHFPQTLTLKNEIEKKYYQPKNQTIHVYKPDGCESEADFASKYGDFLWEKDDDKYDYLAKVEPAHR 145 EEEEE------HHHHHHHHHHHHHH--------EEE-------HHHHHHHH---HHHH-HHHHHHHH-HHHHHHH HHHH----EEEEEE--------------EE-------EEEEE-HH---HHHHHHHHHH---------------------- Query: 150 FLQVFPETKAIVIGIRHTDPFGEHLKPIQKTDANWPDFYRLQPLLHWNLANIWSFLLYSNEPICELYRYGFTSLGNVEET 229 Sbjct: 146 AYKELH-ISAVFTGRRKSQGSARSQLSIIEIDELNG-ILKINPLINWTFEQVKQYIDANNVPYNELLDLGYRSIGDYHST 223 HHH--- -EEE----------------EEEE----E EEE-------HHHHHHHHHHH---------------------- ----------------------------------- Query: 230 LPNPHLRKDKNSTPLKLNFEWEIENRYKHNEVTKA 264 Sbjct: 224 QP---VKEGED----ERAGRWTECGIHEASRFAQF 251 -- ------ -------------------F 243 residues (79.93%) of query sequence aligned
--> hit 4 [All-atom model (PDB)] [view all-atom model (PDB) with Chime] [PIR alignment file] [PDB file (backbone only)] [view PDB file (backbone only) with Chime] [hit list] secondary structure: 34.36% helical, 3.86% extended, 61.78% loops/other (query: 31.25% 9.54% 59.21%) SCOP classification: [Alpha and beta proteins (a/b)]/[Thioredoxin fold] name SCOP SCOP_stat confidence score homolog hits length seq. align ENE TE13 old CGenergy SIFT2 tma1 tma2 |-------OPTM------| |-------SEQ (global)-------| |-------SEQ (local)-------| |-------TRD (global)-------| |-------TRD (local)-------| |-------TRS (global)-------| |-------TRS (local)-------| |-------TSS (global)-------| |-------TSS (local)-------| |-------TSC (global)-------| |-------TSC (local)-------| |-------PSM (global)-------| |-------PSM (local)-------| |-------SRF (global)-------| |-------SRF (local)-------| |-------TBLS------| |-------KMER------| |-------CFTR------| |-------TBSS------| |-------SBLS------| sec. str. (%) ident. src. all-atom all-atom score all-atom all-atom all-atom all-atom r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy pos. comp. 1B8X_A c.47.1.5 72.3.3.1 NONE -999.000 0 1 76.32% 13.79% OPTM -357.298 -341.110 1.137 0.282 0.549 0.644 0.713 13.110 -38.0 0.200 -25.000 -49.5 -0.210 -2.500 -125.0 0.910 -0.190 -16.1 2.590 4.150 -76.2 0.160 1.860 22.6 3.460 3.900 -57.4 2.320 11.710 -36.6 9.600 24.850 -102.6 -30.000 21.000 -130.0 -30.000 28.000 -173.0 0.020 -2.000 41.0 0.490 10.000 -68.0 -0.330 9.000 44.0 3.590 -4.000 -101.0 5.000 -0.2 1.861 -21.8 0.000 -9.3e+061 5.000 -0.1 0.447 0.1 0.44 0.82 alignment source: OPTM +++ there is a problem with all-atom model, click here for details ------EEEEE----HHHHHHHHHHHHH------------------ -------EEEEE------HHHHHHHHHH Query: 51 SPLNGEISFSYNGGKDCQVLLLLYLSCLWEYYIVKLSQSQFDGKFH------RFPLTKLPTVFIDHDDTFKTLENFIEET 124 Sbjct: 1 SPI-----LGYWKIKGLVQPTRLLLEYLEEKYEEHLYERDEGDKWRNKKFELGLEFPNLP-YYIDGDVKLTQSMAIIRYI 74 --- -EEE------HHHHHHHHH-------EEE----------------------- -EE----EE--HHHHHHHH HHH-----EE-----H HHHHHHHHHHHHH----EEEEEE----- ---------E Query: 125 SLRYSLSLYESDRDKC------ETMAEAFETFLQVFPETKAIVIGIRHTD--------------------PFGEHLKPIQ 178 Sbjct: 75 ADKHNM-LGGCPKERAEISMLEGAVLDIRYGVSRIAY----------SKDFETLKVDFLSKLPEMLKMFEDRLCHKTYLN 143 HHH--- ----HHHHHHHHHHHHHHHHHHHHHHHH-- ---HHHHHHHH---HHHHHHHHH---------- E-------EEEEE-HH---HHHHHHHHHH------ --------------------- Query: 179 KTDANWPDFYRLQPLLHWNLANIWSFLLYSNEPIC------------------------ELYRYGFTSLGNVEETLPNPH 234 Sbjct: 144 GDHV---------THPDFMLYDALDVVLYMD-PMCLDAFPKLVCFKKRIEAIPQIDKYLKSSKYIAWPLQGWQATFGGGD 213 ---- --HHHHHHHHHHHHHHH- ---------HHHHHHHHH--HHHH------------------------ ------------------------------------------------ Query: 235 LRKDKNSTPLKLNFEWEIENRYKHNEVTKAEPIPIADEDLVKIENLHE 282 Sbjct: 214 HPPKSDLVP-RGSRRASVGSRMHYPGAFTYSPTPVTSGIGIGMSAMGS 260 --------- -------------------------------------- 232 residues (76.32%) of query sequence aligned
--> hit 5 [All-atom model (PDB)] [view all-atom model (PDB) with Chime] [PIR alignment file] [PDB file (backbone only)] [view PDB file (backbone only) with Chime] [hit list] secondary structure: 41.59% helical, 13.72% extended, 44.69% loops/other (query: 31.25% 9.54% 59.21%) SCOP classification: [Alpha and beta proteins (a/b)]/[S-adenosyl-L-methionine-dependent methyltransferases] name SCOP SCOP_stat confidence score homolog hits length seq. align ENE TE13 old CGenergy SIFT2 tma1 tma2 |-------OPTM------| |-------SEQ (global)-------| |-------SEQ (local)-------| |-------TRD (global)-------| |-------TRD (local)-------| |-------TRS (global)-------| |-------TRS (local)-------| |-------TSS (global)-------| |-------TSS (local)-------| |-------TSC (global)-------| |-------TSC (local)-------| |-------PSM (global)-------| |-------PSM (local)-------| |-------SRF (global)-------| |-------SRF (local)-------| |-------TBLS------| |-------KMER------| |-------CFTR------| |-------TBSS------| |-------SBLS------| sec. str. (%) ident. src. all-atom all-atom score all-atom all-atom all-atom all-atom r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy pos. comp. 1SUI_A c.66.1.1 72.7.7.3 NONE -999.000 0 1 59.54% 11.21% OPTM -507.063 -329.860 0.909 0.388 0.456 0.679 0.693 4.900 -32.5 1.580 52.000 23.0 0.610 3.000 -104.5 0.180 -3.050 26.4 1.100 3.600 -53.7 0.220 2.540 69.6 0.490 -2.170 -33.8 6.660 13.310 4.7 6.590 3.480 -71.6 -30.000 25.000 -98.0 -30.000 4.000 -142.0 1.730 35.000 82.0 0.580 10.000 -53.0 0.850 4.000 23.0 2.550 14.000 -101.0 5.000 -0.4 1.052 -19.4 -63.000 291.0 5.000 -0.4 0.505 1.1 0.68 0.71 alignment source: OPTM +++ there is a problem with all-atom model, click here for details HHHHHHHHHHHHH-----HHHHHHHHHH HHHHHHHHHHHHHHHHH------EEEEE----HHHHHHHHHHHHH--- Query: 6 AAELCYNLTSSYLQIAAESDSIIAQTQR----AINTTKSILINETFPKWSPLNGEISFSYNGGKDCQVLLLLYLSCLWEY 81 Sbjct: 27 DALYQYILETSVFPREHEAMKELREVTAKHPWNIMTTSADEGQFLSMLLKLINAKNTMEIGVY--TGYSLLATALAIPE- 103 HHHHHHHHHH-------HHHHHHHHHH----------HHHHHHHHHHHHH----EEEEE---- -HHHHHHHHH---- ----------------------EEEEE------HHHHHHHHHHHHH-----EE-----HHHHHHHHHHHHHH--- -EE Query: 82 YIVKLSQSQFDGKFHRFPLTKLPTVFIDHDDTFKTLENFIEETSLRYSLSLYESDRDKCETMAEAFETFLQVFPE--TKA 159 Sbjct: 104 ----------DG----------KILAMDINK--ENYELGLPVIKKAGVDHKIDFREGP---ALPVLDEMIKDEKNHGSYD 158 -E EEEEE---H HHHHHHHHHHH------EEEEE--H HHHHHHHHH---------E EEEE--------------EE-------EEEEE-HH---HHHHHHHHHH------------------------------ Query: 160 IVIGIRHTDPFGEHLKPIQKTDANWPDFYRLQPLLHWNLANIWSFLLYSNEPICELYRYGFTSLGNVEETLPNPHLRK 237 Sbjct: 159 FIFVDADKD----------------------------NYLNYHKRLIDLVKVGGVIGYDNTLWNGSVVAP-PDAPLRK 207 EEE------ HHHHHHHHHHH------EEEE------------ -----HH 181 residues (59.54%) of query sequence aligned
DONE: Fri Aug 08 06:39:45 2008 EST