LOOPP results

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:Sat Aug 09 11:12:20 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  = 300      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 T0418
    --> 222 residues, sequence name: T0418
   Database: T:\CBSU\blastdb\20080108\nr


 -> 11 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        167         39          6          0          5          0          0          2   

5 dynamic database entries created: 2YY6_A 2HI0_A 2AH5_A 2PIB_A 2HDO_A 




RESULTS

secondary structure prediction shows 45.50% helical, 13.96% extended and 40.54% loops/other

homologs/domains used:
  0 query sequence T0418
all homologs found

total number of entries processed: 305

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    2YY6_A               not_found     133.133.133.133          NONE   -56.969     0       1  91.44%  24.88%   OPTM     -910.451     -640.110        6.877        0.693        0.851        0.964        0.978     50.290     -70.5    12.300   245.500    -261.5    15.860   217.500    -291.5     1.000     5.080     -20.9     0.990     5.630     -42.9     6.830    33.460     -25.3    11.340    40.990     -62.1    14.850    56.400     -82.6    24.130    47.600    -105.5   -30.000    62.000    -156.0   -30.000    49.000    -162.0    20.410   479.000    -390.0    42.180   380.000    -420.0     7.910   107.000    -158.0    14.330    98.000    -192.0     5.000     -55.7    -2.164     -19.1     0.000 -9.3e+061     5.000     -55.7     0.623     -12.7    0.39  0.81
2    2NYV_A               not_found     133.133.133.133          NONE   -57.121     0       1  92.34%  24.64%   OPTM     -907.076     -605.150        7.338        0.678        0.764        0.946        0.964     51.620     -72.7    11.290   230.000    -264.0    14.860   212.500    -289.0     2.550    10.310     -37.4     0.520     6.160     -50.8     9.650    55.050     -51.6     9.750    33.590     -64.3    19.120    90.360    -111.4    29.800    60.920    -115.9   -30.000    83.000    -176.0   -30.000    64.000    -176.0    19.500   455.000    -390.0    48.690   372.000    -415.0    11.030   136.000    -182.0    14.090    96.000    -196.0     5.000     -55.7    -2.138     -18.6     0.000 -9.3e+061     5.000     -55.7     0.663     -12.7    0.68  0.85
3    2AH5_A               c.108.1.6     122.41.41.10           NONE   -57.335     0       1  91.44%  25.00%   OPTM     -857.386     -669.210        6.408        0.653        0.722        0.947        0.974     40.950     -65.1     8.190   207.000    -220.0    13.060   174.500    -259.0     1.610    13.720     -22.7    -0.360     1.280     -40.8     3.570    23.440     -11.4     6.370    22.540     -46.1    13.820    52.670     -74.7    23.230    60.720    -101.2   -30.000    76.000    -161.0   -30.000    72.000    -166.0    19.870   450.000    -376.0    39.450   360.000    -408.0     9.230   129.000    -146.0    13.000    83.000    -166.0     5.000     -42.0    -1.966     -21.4     0.000 -9.3e+061     5.000     -42.0    -0.420      -6.7    0.77  0.83
4    2PIB_A               not_found     133.133.133.133          NONE   -57.357     0       1  93.24%  24.29%   OPTM     -818.841     -530.910        6.484        0.627        0.569        0.955        0.955     50.950     -73.5    11.150   245.000    -240.5    15.650   202.000    -274.0     0.680    13.220     -19.1    -0.890     1.380     -38.5     6.970    46.200     -25.5     8.250    20.310     -48.3    16.590    72.840     -88.1    24.690    58.520    -111.8   -30.000    90.000    -176.0   -30.000    75.000    -184.0    18.860   389.000    -322.0    41.350   305.000    -349.0     8.430   121.000    -133.0    13.790    83.000    -156.0     5.000     -40.4    -2.817     -16.8     0.000 -9.3e+061     5.000     -40.4    -0.060     -12.7    0.24  0.91
5    2HSZ_A               c.108.1.6     122.41.41.10           NONE   -57.366     0       1  95.95%  20.19%   OPTM     -785.781     -598.050        6.186        0.653        0.715        0.916        0.954     53.030     -73.0     7.670   193.000    -187.0    12.530   179.500    -235.0     0.750     2.270     -23.3    -1.890    -6.110     -39.0     1.110     5.930       2.5     4.580    15.590     -44.5     7.050    25.850     -60.2    22.190    42.470     -97.7   -30.000    71.000    -168.0   -30.000    66.000    -169.0    17.010   428.000    -343.0    40.720   344.000    -385.0     9.290   110.000    -194.0    13.840    97.000    -213.0     5.000     -60.7    -0.306     -23.6     0.000 -9.3e+061     5.000     -60.7     1.041      -5.5    0.79  0.83



RMSD table between hits
(RMSDs are shaded according to similarity, up to 10Å )

	1	2	3	4	5
1	0.00	2.35	2.93	4.24	4.70
2	2.35	0.00	2.92	4.50	4.73
3	2.93	2.92	0.00	4.21	4.33
4	4.24	4.50	4.21	0.00	4.81
5	4.70	4.73	4.33	4.81	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	100.00	100.00	71.84	73.68
2	100.00	100.00	100.00	68.93	72.51
3	100.00	100.00	100.00	69.90	74.06
4	71.84	68.93	69.90	100.00	73.43
5	73.68	72.51	74.06	73.43	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	100.00	100.00	100.00	100.00
2	100.00	100.00	100.00	100.00	100.00
3	100.00	100.00	100.00	100.00	100.00
4	100.00	100.00	100.00	100.00	100.00
5	100.00	100.00	100.00	100.00	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: 37.75% helical, 12.25% extended, 50.00% loops/other (query: 45.50% 13.96% 40.54%)

  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.
2YY6_A               not_found     133.133.133.133          NONE   -56.969     0       1  91.44%  24.88%   OPTM     -910.451     -640.110        6.877        0.693        0.851        0.964        0.978     50.290     -70.5    12.300   245.500    -261.5    15.860   217.500    -291.5     1.000     5.080     -20.9     0.990     5.630     -42.9     6.830    33.460     -25.3    11.340    40.990     -62.1    14.850    56.400     -82.6    24.130    47.600    -105.5   -30.000    62.000    -156.0   -30.000    49.000    -162.0    20.410   479.000    -390.0    42.180   380.000    -420.0     7.910   107.000    -158.0    14.330    98.000    -192.0     5.000     -55.7    -2.164     -19.1     0.000 -9.3e+061     5.000     -55.7     0.623     -12.7    0.39  0.81

alignment source: OPTM
 +++ there is a problem with all-atom model, click here for details
            EEEEEE--------HHHHHHHHHHHHHH-------HHHHHHH----HHHHHH HH-----HHHHHHHHHHHHHHHHHH--
Query:    4 TVYLFDFDYTLADSSRGIVTCFRSVLERHGYTGITDDMIKRTIGKTLEESFS-ILTGITDADQLESFRQEYSKEADIYMN   82
Sbjct:    2 RVILFDLDGTLIDSAKDIALALEKTLKELGLEEYYPDNVTKYIGGGVRALLEKVLKDKFREEYVEVFRKHYLE----NPV   77
            -EEEE------EE-HHHHHHHHHHHHHHH-----------------HHHHHHHHH-----HHHHHHHHHH---    ---

            --------HHHHHHHHHH---EEEEEE---HHHHHHHHHH-------EEEEE----------HHHHHHHHHH------EE
Query:   83 ANTILFPDTLPTLTHLKKQGIRIGIISTKYRFRILSFLRNHMPDDWFDIIIGGEDVTHHKPDPEGLLLAIDRLKACPEEV  162
Sbjct:   78 VYTKPYPEIPYTLEALKSKGFKLAVVSNKLEELSKKILDILNLSGYFDLIVGGDTFGEKKPSPTPVLKTLEILGEEPEKA  157
            ---EE---HHHHHHHHHH---EEEE-----HHHHHHHHHH-----------------------HHHHHHHH--------E

            EEEE--HHHHHHHHH----EEEEE------HHHHH----EEE--HHHHHH
Query:  163 LYIGDSTVDAGTAAAAGVSFTGVTSGMTTAQEFQAYPYDRIISTLGQLIS  212
Sbjct:  158 LIVGDTDADIEAGKRAGTKTALALWGYVKL---NSQIPDFTLSRPSDLVK  204
            EEEE--HHHHHHHHHH--EEEEE-------   ------EEE---HHHHH

203 residues (91.44%) 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: 38.35% helical, 14.08% extended, 47.57% loops/other (query: 45.50% 13.96% 40.54%)

  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.
2NYV_A               not_found     133.133.133.133          NONE   -57.121     0       1  92.34%  24.64%   OPTM     -907.076     -605.150        7.338        0.678        0.764        0.946        0.964     51.620     -72.7    11.290   230.000    -264.0    14.860   212.500    -289.0     2.550    10.310     -37.4     0.520     6.160     -50.8     9.650    55.050     -51.6     9.750    33.590     -64.3    19.120    90.360    -111.4    29.800    60.920    -115.9   -30.000    83.000    -176.0   -30.000    64.000    -176.0    19.500   455.000    -390.0    48.690   372.000    -415.0    11.030   136.000    -182.0    14.090    96.000    -196.0     5.000     -55.7    -2.138     -18.6     0.000 -9.3e+061     5.000     -55.7     0.663     -12.7    0.68  0.85

alignment source: OPTM
 +++ there is a problem with all-atom model, click here for details
            --EEEEEE--------HHHHHHHHHHHHHH-------HHHHHHH----HHHHHH HH-----HHHHHHHHHHHHHHHHHH
Query:    2 KYTVYLFDFDYTLADSSRGIVTCFRSVLERHGYTGITDDMIKRTIGKTLEESFS-ILTGITDADQLESFRQEYSKEADIY   80
Sbjct:    2 SLRVILFDLDGTLIDSAKDIALALEKTLKELGLEEYYPDNVTKYIGGGVRALLEKVLKDKFREEYVEVFRKHYLENP---   78
            ---EEEE------EE-HHHHHHHHHHHHHH------------------HHHHHHHHH------HHHHHHHHHHHH--   

            ----------HHHHHHHHHH---EEEEEE---HHHHHHHHHH-------EEEEE----------HHHHHHHHHH------
Query:   81 MNANTILFPDTLPTLTHLKKQGIRIGIISTKYRFRILSFLRNHMPDDWFDIIIGGEDVTHHKPDPEGLLLAIDRLKACPE  160
Sbjct:   79 -VVYTKPYPEIPYTLEALKSKGFKLAVVSNKLEELSKKILDILNLSGYFDLIVGGDTFGEKKPSPTPVLKTLEILGEEPE  157
             ----EE---HHHHHHHHHH---EEEEE----HHHHHHHHHH--------EEE------------HHHHHHHHHH-----

            EEEEEE--HHHHHHHHH----EEEEE------HHHHH----EEE--HHHHHH
Query:  161 EVLYIGDSTVDAGTAAAAGVSFTGVTSGMTTAQEFQAYPYDRIISTLGQLIS  212
Sbjct:  158 KALIVGDTDADIEAGKRAGTKTALALWGYVKL---NSQIPDFTLSRPSDLVK  206
            -EEEEE--HHHHHHHHHH--EEEEE-------   ------EEE----HHHH

205 residues (92.34%) 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: 39.71% helical, 16.67% extended, 43.63% loops/other (query: 45.50% 13.96% 40.54%)

  SCOP classification:  [Alpha and beta proteins (a/b)]/[HAD-like]

 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.
2AH5_A               c.108.1.6     122.41.41.10           NONE   -57.335     0       1  91.44%  25.00%   OPTM     -857.386     -669.210        6.408        0.653        0.722        0.947        0.974     40.950     -65.1     8.190   207.000    -220.0    13.060   174.500    -259.0     1.610    13.720     -22.7    -0.360     1.280     -40.8     3.570    23.440     -11.4     6.370    22.540     -46.1    13.820    52.670     -74.7    23.230    60.720    -101.2   -30.000    76.000    -161.0   -30.000    72.000    -166.0    19.870   450.000    -376.0    39.450   360.000    -408.0     9.230   129.000    -146.0    13.000    83.000    -166.0     5.000     -42.0    -1.966     -21.4     0.000 -9.3e+061     5.000     -42.0    -0.420      -6.7    0.77  0.83

alignment source: OPTM
 +++ there is a problem with all-atom model, click here for details
            ---EEEEEE--------HHHHHHHHHHHHHH-------HHHHHHH----HHHHHHHH-----HHHHHHHHHHHHHHHHHH
Query:    1 MKYTVYLFDFDYTLADSSRGIVTCFRSVLERHGYTGITDDMIKRTIGKTLEESFSILTGITDADQLESFRQEYSKEADIY   80
Sbjct:    2 TSITAIFFDLDGTLVDSSIGIHNAFTYTFKELGVPSPDAKTIRG-FGPPLESSFATCL---SKDQISEAVQIYRSYYKAK   77
            ----EEEE------EE-HHHHHHHHHHHHHHH------HHHHHH ----HHHHHH---   ----HHHHHHHHHHHHHH-

            ----------HHHHHHHHHH---EEEEEE---HHHHHHHHHH-------EEEEE----------HHHHHHHHHH------
Query:   81 MNANTILFPDTLPTLTHLKKQGIRIGIISTKYRFRILSFLRNHMPDDWFDIIIGGEDVTHHKPDPEGLLLAIDRLKACPE  160
Sbjct:   78 GIYEAQLFPQIIDLLEELSSS-YPLYITTTKDTSTAQDA-KNLEIHHFFDGIYGSSPEAPHK--ADVIHQALQTHQLAPE  153
            -----EE---HHHHHHHHH-- --EEEEEEEEHHHHH-- ----------EEEEE------H  HHHHHHHHHH------

            EEEEEE--HHHHHHHHH----EEEEE------HHHHH----EEE--HHHHHH
Query:  161 EVLYIGDSTVDAGTAAAAGVSFTGVTSGMTTAQEFQAYPYDRIISTLGQLIS  212
Sbjct:  154 QAIIIGDTKFDLG-ARETGIQKLAITWGFGEQADLLNYQPDYIAHKPLEVLA  204
            -EEEEE------H HHHH--EEEEE------HHHHH-----EEE----HHHH

203 residues (91.44%) 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: 45.45% helical,  9.57% extended, 44.98% loops/other (query: 45.50% 13.96% 40.54%)

  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.
2PIB_A               not_found     133.133.133.133          NONE   -57.357     0       1  93.24%  24.29%   OPTM     -818.841     -530.910        6.484        0.627        0.569        0.955        0.955     50.950     -73.5    11.150   245.000    -240.5    15.650   202.000    -274.0     0.680    13.220     -19.1    -0.890     1.380     -38.5     6.970    46.200     -25.5     8.250    20.310     -48.3    16.590    72.840     -88.1    24.690    58.520    -111.8   -30.000    90.000    -176.0   -30.000    75.000    -184.0    18.860   389.000    -322.0    41.350   305.000    -349.0     8.430   121.000    -133.0    13.790    83.000    -156.0     5.000     -40.4    -2.817     -16.8     0.000 -9.3e+061     5.000     -40.4    -0.060     -12.7    0.24  0.91

alignment source: OPTM
 +++ there is a problem with all-atom model, click here for details
            EEE--------HHHHHHHHHHHHHH-------HHHHHHH----HHHHHHHH-----HHHHHHHHHHHHHHHHHH------
Query:    7 LFDFDYTLADSSRGIVTCFRSVLERHGYTGITDDMIKRTIGKTLEESFSILTGITDADQLESFRQEYSKEADIYMNANTI   86
Sbjct:    3 AVIFDDGVLDTEPLYFEAYRRVAESYG-KPYTEDLHRR-IGVPEREGLPILEALEIKDSLENFKKRVHEEKKRVFSELLK   80
            EEE----------HHHHHHHHHHH--- ---HHHHHH- ---HHHHHHH---------HHHHHHHHHHHHHHHHHHH---

            ----HHHHHHHHHH---EEEEEE---HHHHHHHHHH-------EEEEE----------HHHHHHHHHH------EEEEEE
Query:   87 LFPDTLPTLTHLKKQGIRIGIISTKYRFRILSFLRNHMPDDWFDIIIGGEDVTHHKPDPEGLLLAIDRLKACPEEVLYIG  166
Sbjct:   81 ENPGVREALEFVKSKRIKLALATSTPQREALERLRRLDLEKYFDVVF-GDQVKNGKPDPEIYLLVLERLNVVPEKVVVFE  159
            ---HHHHHHHHHH---EEEE-----HHHHHHHHHH------------ ----------HHHHHHHHHH------EEEEE-

            --HHHHHHHHH--- -EEEEE------HHHHH----EEE--HHHHHHHHHH
Query:  167 DSTVDAGTAAAAGV-SFTGVTSGMTTAQEFQAYPYDRIISTLGQLISVPED  216
Sbjct:  160 DSKSGVEAAKSAGIERIYGVVHSLNDGKALLEAGAVALVKP-EEILNVLKE  209
            -HHHHHHHHH----EEEEE-------HHHHH----EEE--- -HHHHHHHH

207 residues (93.24%) 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: 39.82% helical, 11.31% extended, 48.87% loops/other (query: 45.50% 13.96% 40.54%)

  SCOP classification:  [Alpha and beta proteins (a/b)]/[HAD-like]

 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.
2HSZ_A               c.108.1.6     122.41.41.10           NONE   -57.366     0       1  95.95%  20.19%   OPTM     -785.781     -598.050        6.186        0.653        0.715        0.916        0.954     53.030     -73.0     7.670   193.000    -187.0    12.530   179.500    -235.0     0.750     2.270     -23.3    -1.890    -6.110     -39.0     1.110     5.930       2.5     4.580    15.590     -44.5     7.050    25.850     -60.2    22.190    42.470     -97.7   -30.000    71.000    -168.0   -30.000    66.000    -169.0    17.010   428.000    -343.0    40.720   344.000    -385.0     9.290   110.000    -194.0    13.840    97.000    -213.0     5.000     -60.7    -0.306     -23.6     0.000 -9.3e+061     5.000     -60.7     1.041      -5.5    0.79  0.83

alignment source: OPTM
 +++ there is a problem with all-atom model, click here for details
            ---EEEEEE--------HHHHHHHHHHHHHH-------           HHHHHHH----HHHHHHHH-----HHHHHHH
Query:    1 MKYTVYLFDFDYTLADSSRGIVTCFRSVLERHGYTGIT-----------DDMIKRTIGKTLEESFSILTGITDADQLESF   69
Sbjct:    4 TQFKLIGFDLDGTLVNSLPDLALSINSALKDVNLPQASENLVTWIGNGADVLSQRA----VDWACKQAEKELTEDEFKYF   79
            ---EEEE------EE-HHHHHHHHHHHHHH-----------------HHHHHHHHH    HHHHHHH-----HHHHHHHH

            HHHHHHHHHHH----------HHHHHHHHHH---EEEEEE---HHHHHHHHHH-------EEEEE----------HHHHH
Query:   70 RQEYSKEADIYMNANTILFPDTLPTLTHLKKQGIRIGIISTKYRFRILSFLRNHMPDDWFDIIIGGEDVTHHKPDPEGLL  149
Sbjct:   80 KRQFGFYYGENLCNISRLYPNVKETLEALKAQGYILAVVTNKPTKHVQPILTAFGIDHLFS-ELGGQSLPEIKPHPAPFY  158
            HHHHHHHHHH-----EE---HHHHHHHHHH---EEEE-----HHHHHHHHHH--------- -------------HHHHH

            HHHHH------EEEEEE--HHHHHHHHH----EEEEE------HHHHH----EEE--HHHHHHH
Query:  150 LAIDRLKACPEEVLYIGDSTVDAGTAAAAGVSFTGVTSGMTTAQEFQAYPYDRIISTLGQLISV  213
Sbjct:  159 YLCGKFGLYPKQILFVGDSQNDIFAAHSAGCAVVGLTYGYNYNIPIAQSKPDWIFDDFADILKI  222
            HHHHH------EEEEE--HHHHHHHHHH--EEEEE----------------EEE----------

213 residues (95.95%) of query sequence aligned




DONE: Sat Aug 09 18:33:33 2008 EST

00%-10%	10%-20%	20%-30%	30%-40%	40%-50%	50%-60%	60%-70%	70%-80%	80%-90%	90%-100%
0	0	167	39	6	0	5	0	0	2