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:Thu Aug 07 12:58:08 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 T0393
    --> 263 residues, sequence name: T0393
   Database: T:\CBSU\blastdb\20080108\nr


 -> 13 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          2         43         14          6          2          1          4          0          2   

5 dynamic database entries created: 2I9P_A 2GF2_A 2AMF_A 2HK9_A 2HK7_A 




RESULTS

secondary structure prediction shows 55.51% helical, 13.31% extended and 31.18% loops/other

homologs/domains used:
  0 query sequence T0393
all homologs found

total number of entries processed: 205

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    1LSS_A               c.2.1.9       132.74.74.3            NONE   -68.307     0       1  41.06%  14.81%   OPTM     -390.002     -242.840        0.610        0.686        0.554        0.755        0.913      6.980     -31.1     3.360    60.500     197.5     3.670    45.500    -110.0     1.350    10.640     112.2    -0.500     2.600     -34.3     0.990     6.490     160.1     0.030    -0.210     -26.3     4.260    16.410     117.0     6.890    -7.120     -46.1   -30.000     7.000      10.0   -30.000    -1.000     -98.0     4.540    74.000     168.0     4.530    33.000     -87.0    -1.090    -4.000     235.0     2.580     3.000     -64.0     5.000      -7.3     0.508     -15.8     6.000     333.0     5.000      -7.3    -0.284      -3.3   -0.17  0.57
2    c.2.1.6.10_A         c.2.1.6       132.74.74.21           NONE   -68.498     0       1  59.70%  17.20%   OPTM     -606.963     -419.920        1.022        0.663        0.605        0.746        0.951     18.580     -42.5     1.970    14.000      23.0     1.080    21.500     -86.5     0.760     3.790      24.5     0.460    -2.160     -39.6     2.150    11.700      53.3     0.770     3.490     -23.5     4.760     6.190      16.0     5.550     3.040     -51.0   -30.000     5.000     -79.0   -30.000    -4.000    -109.0     2.980    34.000      50.0     0.630    11.000     -50.0     0.270    14.000      -7.0     1.940    12.000    -111.0     5.000      -4.2    -2.459     -24.4    84.000     364.0     5.000      -4.2     1.398       1.3    0.12  0.64
3    c.2.1.6.11_A         c.2.1.6       132.74.74.21           NONE   -68.510     0       1  61.22%  19.25%   OPTM     -495.443     -379.910        1.180        0.648        0.502        0.808        0.945     19.140     -43.0     1.570    23.500      48.0     2.390    22.500    -107.0     0.520     3.520      29.8    -0.370     0.170     -37.5     1.820     7.910      58.8     1.750     9.160     -30.5     4.630     8.070      30.1     8.350     8.580     -54.4   -30.000     9.000     -55.0   -30.000    11.000    -107.0     4.890    96.000      45.0     7.150    41.000     -92.0     1.320    28.000      32.0     0.800    -3.000     -86.0     5.000      -2.5    -0.333     -21.1     0.000 -9.3e+061     5.000      -2.5     0.898      -1.9    0.01  0.46
4    c.2.1.6.7_A          c.2.1.6       132.74.74.21           NONE   -68.606     0       1  61.60%  19.75%   OPTM     -640.534     -436.160        1.278        0.617        0.559        0.787        0.928     16.040     -43.3     2.500    53.000      20.0     0.650     4.000     -92.5    -0.200     4.330      43.4     0.730     0.920     -40.6     0.500    10.830      74.7     2.040     5.760     -30.1     5.180     6.050      28.1    12.170     9.610     -62.4   -30.000   -12.000     -58.0   -30.000   -14.000    -105.0     3.230    60.000      56.0     1.490    17.000     -62.0     1.780    31.000      28.0     3.470    11.000     -94.0     5.000      -2.2    -0.502     -14.9   -74.000     316.0     5.000      -2.2     0.204      -0.8    0.25  0.57
5    c.2.1.6.15_A         c.2.1.6       132.74.74.21           NONE   -68.641     0       1  57.79%  15.82%   OPTM     -539.760     -468.320        1.774        0.635        0.550        0.919        0.954     21.870     -46.4     2.760    41.000     148.5     2.340    33.500    -109.0     0.020    -6.000      96.2     0.760     5.320     -38.4     2.210    14.890     122.9     5.010    14.030     -38.4     7.800    31.590      74.0    15.560    24.130     -63.9   -30.000     3.000     -20.0   -30.000    26.000    -120.0     3.350    45.000     158.0     9.060    67.000    -115.0    -0.820     4.000     153.0     7.340    37.000    -106.0     5.000      -9.1    -1.971     -17.3     0.000 -9.3e+061     5.000      -9.1     0.568       1.7   -0.10  0.41



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

	1	2	3	4	5
1	0.00	4.70	3.79	3.93	4.34
2	4.70	0.00	4.87	3.33	5.04
3	3.79	4.87	0.00	4.33	4.55
4	3.93	3.33	4.33	0.00	4.41
5	4.34	5.04	4.55	4.41	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	32.41	61.11	40.74	69.44
2	32.41	100.00	32.47	70.06	22.93
3	61.11	32.47	100.00	43.67	51.95
4	40.74	70.06	43.67	100.00	22.15
5	69.44	22.93	51.95	22.15	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: 41.03% helical, 20.51% extended, 38.46% loops/other (query: 55.51% 13.31% 31.18%)

  SCOP classification:  [Alpha and beta proteins (a/b)]/[NAD(P)-binding Rossmann-fold domains]

 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.
1LSS_A               c.2.1.9       132.74.74.3            NONE   -68.307     0       1  41.06%  14.81%   OPTM     -390.002     -242.840        0.610        0.686        0.554        0.755        0.913      6.980     -31.1     3.360    60.500     197.5     3.670    45.500    -110.0     1.350    10.640     112.2    -0.500     2.600     -34.3     0.990     6.490     160.1     0.030    -0.210     -26.3     4.260    16.410     117.0     6.890    -7.120     -46.1   -30.000     7.000      10.0   -30.000    -1.000     -98.0     4.540    74.000     168.0     4.530    33.000     -87.0    -1.090    -4.000     235.0     2.580     3.000     -64.0     5.000      -7.3     0.508     -15.8     6.000     333.0     5.000      -7.3    -0.284      -3.3   -0.17  0.57

alignment source: OPTM
            EEEEE--HHHHHHHHHHHH----EEEEEE--HHHHHHHHHH----E--    -HHHHHH-    --EEEEE- -HHHHHH
Query:   10 IVLIGAGNLATNLAKALYRKGFRIVQVYSRTEESARELAQKVEAEYTT----DLAEVNPY----AKLYIVSL-KDSAFAE   80
Sbjct:    3 IIIAGIGRVGYTLAKSLSEKG-HDIVLIDIDKDICKKASAEIDALVINGDCTKIKTLEDAGIEDADMYIAVTGKEEVNLM   81
            EEE---HHHHHHHHHHHH--- EEEEEE--HHHHHHHHHH---EEEE-----HHHHHH-------EEEE----HHHHHHH

            HHHHHHH------EEEEE-----HHHHHHHH----EE
Query:   81 LLQGIVEGKREEALMVHTAGSIPMNVWEGHVPHYGVF  117
Sbjct:   82 SSLLAKSYGINK--TIARISEIEYKDVFERLGVDVVV  116
            HHHHHH-----E  EEE-----HHHHHHH----EEE-

108 residues (41.06%) 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: 40.41% helical, 16.06% extended, 43.52% loops/other (query: 55.51% 13.31% 31.18%)

  SCOP classification:  [Alpha and beta proteins (a/b)]/[NAD(P)-binding Rossmann-fold domains]

 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.
c.2.1.6.10_A         c.2.1.6       132.74.74.21           NONE   -68.498     0       1  59.70%  17.20%   OPTM     -606.963     -419.920        1.022        0.663        0.605        0.746        0.951     18.580     -42.5     1.970    14.000      23.0     1.080    21.500     -86.5     0.760     3.790      24.5     0.460    -2.160     -39.6     2.150    11.700      53.3     0.770     3.490     -23.5     4.760     6.190      16.0     5.550     3.040     -51.0   -30.000     5.000     -79.0   -30.000    -4.000    -109.0     2.980    34.000      50.0     0.630    11.000     -50.0     0.270    14.000      -7.0     1.940    12.000    -111.0     5.000      -4.2    -2.459     -24.4    84.000     364.0     5.000      -4.2     1.398       1.3    0.12  0.64

alignment source: OPTM
            --EEEEE--HHHHHHHHHHHH----EEEEEE--                  HHHHHHHHHH----E---HHHHHH---EE
Query:    8 TPIVLIGAGNLATNLAKALYRKGFRIVQVYSRT------------------EESARELAQKVEAEYTTDLAEVNPYAKLY   69
Sbjct:    1 MRISIFGLGYVGAVCAGCLSARGHEVIGVDVSSTKIDLINQGKSPIVEPGLEALLQQGRQTGRLSGTTDFKKAVLDSDVS   80
            -EEEEE-----HHHHHHHHHH---EEEEE---HHHHHHHH----------HHHHHHHHHH---EEEE--HHHHHH---EE

            EEE--              HHHHHHHHHHHHH------EEEEE-----       HHHHHHHH--     --EEEE----
Query:   70 IVSLK--------------DSAFAELLQGIVEGKREEALMVHTAGSIP-------MNVWEGHVPH-----YGVFYPMQTF  123
Sbjct:   81 FICVGTPSKKNGDLDLGYIETVCREIGFAIRE-KSERHTVVVRSTVLPGTVNNVVIPLIEDCSGKKAGVDFGVGTNPEFL  159
            EE--------------HHHHHHHHHHHHHH-- -----EEEE-------HHHH-HHHHHHHHH--------EEEE-----

            -----HHHH--E  EEEEE--HHHHHHHHHHHHHH---EEE--
Query:  124 SKQREVDFKEIP--FFIEASSTEDAAFLKAIASTLSNRVYDAD  164
Sbjct:  160 RESTAIKDYDFPPMTVIGELDKQTGDLLEEIYRELDAPIIRKT  202
            ----HHHHHH----EEEEE--HHHHHHHHHHH------EEEE-

157 residues (59.70%) 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: 35.64% helical, 20.21% extended, 44.15% loops/other (query: 55.51% 13.31% 31.18%)

  SCOP classification:  [Alpha and beta proteins (a/b)]/[NAD(P)-binding Rossmann-fold domains]

 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.
c.2.1.6.11_A         c.2.1.6       132.74.74.21           NONE   -68.510     0       1  61.22%  19.25%   OPTM     -495.443     -379.910        1.180        0.648        0.502        0.808        0.945     19.140     -43.0     1.570    23.500      48.0     2.390    22.500    -107.0     0.520     3.520      29.8    -0.370     0.170     -37.5     1.820     7.910      58.8     1.750     9.160     -30.5     4.630     8.070      30.1     8.350     8.580     -54.4   -30.000     9.000     -55.0   -30.000    11.000    -107.0     4.890    96.000      45.0     7.150    41.000     -92.0     1.320    28.000      32.0     0.800    -3.000     -86.0     5.000      -2.5    -0.333     -21.1     0.000 -9.3e+061     5.000      -2.5     0.898      -1.9    0.01  0.46

alignment source: OPTM
            ---------EEEEE--HHHHHHHHHHHH----EEEEEE--HHHHHHHHHH---             -E---HHHHHH---
Query:    1 MKRSIEDTPIVLIGAGNLATNLAKALYRKGFRIVQVYSRTEESARELAQKVEA-------------EYTTDLAEVNPYAK   67
Sbjct:    9 KDELLYLNKAVVFGSGAFGTALAMVLSKK-CREVCVWHMNEEEVRLVNEKRENVLFLKGVQLASNITFTSDVEKAYNGAE   87
            ------EEEEEEE---HHHHHHHHHH--- EEEEEEE---HHHHHHHHHH---------------EEEE--HHHHH----

            EEEEE--HHHHHHHHH    HHHH-----  -EEEEE--      ---HHHHHHHH----EEEE---------HHHH-  
Query:   68 LYIVSLKDSAFAELLQ----GIVEGKREE--ALMVHTAG------SIPMNVWEGHVPHYGVFYPMQTFSKQREVDFKE--  133
Sbjct:   88 IILFVIPTQFLRGFFEKSGGNLIAYAKEKQVPVLVCTKGIERSTLKFPAEIIGEFLPSPLLSVLAG---PSFAIEVATGV  164
            -EEE---HHHHHHHHHHH-HHHHHHHHHH---EEE------------HHHHH--------EEEEE-   ---HHHHH---

             -EEEEEE--HHHHHHHHHHHHHH---EE
Query:  134 -IPFFIEASSTEDAAFLKAIASTLSNRVY  161
Sbjct:  165 FTCVSIASADINVARRLQRIMSTGDRSFV  193
            -EEEEEE---HHHHHHHHHHH------EE

161 residues (61.22%) 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: 41.36% helical, 20.42% extended, 38.22% loops/other (query: 55.51% 13.31% 31.18%)

  SCOP classification:  [Alpha and beta proteins (a/b)]/[NAD(P)-binding Rossmann-fold domains]

 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.
c.2.1.6.7_A          c.2.1.6       132.74.74.21           NONE   -68.606     0       1  61.60%  19.75%   OPTM     -640.534     -436.160        1.278        0.617        0.559        0.787        0.928     16.040     -43.3     2.500    53.000      20.0     0.650     4.000     -92.5    -0.200     4.330      43.4     0.730     0.920     -40.6     0.500    10.830      74.7     2.040     5.760     -30.1     5.180     6.050      28.1    12.170     9.610     -62.4   -30.000   -12.000     -58.0   -30.000   -14.000    -105.0     3.230    60.000      56.0     1.490    17.000     -62.0     1.780    31.000      28.0     3.470    11.000     -94.0     5.000      -2.2    -0.502     -14.9   -74.000     316.0     5.000      -2.2     0.204      -0.8    0.25  0.57

alignment source: OPTM
            ------EEEEE--HHHHHHHHHHHH----EEEEEE--           HHHHHHHHHH----                 E
Query:    4 SIEDTPIVLIGAGNLATNLAKALYRKGFRIVQVYSRT-----------EESARELAQKVEAE-----------------Y   55
Sbjct:   12 KIIVKHVTVIGGGLMGAGIAQVAAATGH-TVVLVDQTEDILAKSKKGIEESLRKVAKKKFAENPKAGDECVEKTLSTIAT   90
            -----EEEEE---HHHHHHHHHHHH--- EEEEE---HHHHHHHHHHHHHHHHHHHHHH----HHHHHHHHHHHHH-EEE

            ---HHHHHH---EEEEE--  HHHHHHHHHHHHH------EEEEE-----HHHHHHHH----EEEE---------HHHH-
Query:   56 TTDLAEVNPYAKLYIVSLK--DSAFAELLQGIVEGKREEALMVHTAGSIPMNVWEGHVPHYGVFYPMQTFSKQREVDFKE  133
Sbjct:   91 STDAASVVHSTDLVVEAIVENLKVKNELFKRLDKFAAEHTIFASNTSSLQITSIANATTRQDRFAGLHFFNP---VPVMK  167
            E-----------EEEE-----HHHHHHHHHHHHHH-----EEEE------HHHHH--------EEEEE----   -----

            -EEEEEE-  -HHHHHHHHHHHHHH---EEE---
Query:  134 IPFFIEAS--STEDAAFLKAIASTLSNRVYDADS  165
Sbjct:  168 LVEVIKTPMTSQKTFESLVDFSKALGKHPVSCKD  201
            EEEEEE-----HHHHHHHHHHHHH---EEEEEE-

162 residues (61.60%) 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: 35.10% helical, 22.52% extended, 42.38% loops/other (query: 55.51% 13.31% 31.18%)

  SCOP classification:  [Alpha and beta proteins (a/b)]/[NAD(P)-binding Rossmann-fold domains]

 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.
c.2.1.6.15_A         c.2.1.6       132.74.74.21           NONE   -68.641     0       1  57.79%  15.82%   OPTM     -539.760     -468.320        1.774        0.635        0.550        0.919        0.954     21.870     -46.4     2.760    41.000     148.5     2.340    33.500    -109.0     0.020    -6.000      96.2     0.760     5.320     -38.4     2.210    14.890     122.9     5.010    14.030     -38.4     7.800    31.590      74.0    15.560    24.130     -63.9   -30.000     3.000     -20.0   -30.000    26.000    -120.0     3.350    45.000     158.0     9.060    67.000    -115.0    -0.820     4.000     153.0     7.340    37.000    -106.0     5.000      -9.1    -1.971     -17.3     0.000 -9.3e+061     5.000      -9.1     0.568       1.7   -0.10  0.41

alignment source: OPTM
            --EEEEE--HHHHHHHHHHHH----EEEEEE--HHHHHHHHHH----E---HHHHHH---EEEEE--HHHHHHHHHHHHH
Query:    8 TPIVLIGAGNLATNLAKALYRKGFRIVQVYSRTEESARELAQKVEAEYTTDLAEVNPYAKLYIVSLKDSAFAELLQGIVE   87
Sbjct:    1 MKIGIIGVGKMASAIIKGLKQTPH-ELIISGSSLERSKEIAEQLALPYAMSHQDLIDQVDLVILGIKPQLFETVLK----   75
            -EEEEE---HHHHHHHHHH----- EEEEE---HHHHHHHHHHH-------HHHHHHH--EEEE------HHHHH-    

            ------EEEEE-----HHHHHHHH-- --EEEE---------HHHH--EEEEEE-   -HHHHHHHHHHHHHH---EEE-
Query:   88 GKREEALMVHTAGSIPMNVWEGHVPH-YGVFYPMQTFSKQREVDFKEIPFFIEAS---STEDAAFLKAIASTLSNRVYDA  163
Sbjct:   76 PLHFKQPIISMAAGISLQRLATFVGQDLPLLRIMPNMNAQIL----QSSTALTGNALVSQELQARVRDLTDSF-GSTFDI  150
            -------EEE------HHHHHHHH-----EEEEE--------    -EEEEEEE-----HHHHHHHHHHHH-- EEEEE-

            --
Query:  164 DS  165
Sbjct:  151 SE  152
            --

152 residues (57.79%) of query sequence aligned




DONE: Thu Aug 07 18:53:23 2008 EST

00%-10%	10%-20%	20%-30%	30%-40%	40%-50%	50%-60%	60%-70%	70%-80%	80%-90%	90%-100%
0	2	43	14	6	2	1	4	0	2