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 16 21:20:54 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 T0440
    --> 275 residues, sequence name: T0440
   Database: T:\CBSU\blastdb\20080108\nr


 -> 6 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 73 19 6 0 0 0 1 6
RESULTS secondary structure prediction shows 41.82% helical, 12.73% extended and 45.45% loops/other homologs/domains used: 0 query sequence T0440 all homologs found total number of entries processed: 300 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 2YXO_A not_found 55.55.55.55 NONE -71.921 0 1 86.91% 26.10% OPTM -1000.480 -726.730 7.162 0.500 0.815 0.872 0.902 51.540 -83.5 9.550 215.000 -260.0 17.040 248.000 -348.5 -0.820 -1.460 -12.3 -0.610 -7.440 -45.8 1.120 11.040 9.6 -0.120 3.750 -31.6 4.380 31.730 -45.5 10.520 24.850 -75.1 -30.000 54.000 -167.0 -30.000 56.000 -186.0 23.590 555.000 -520.0 59.640 565.000 -625.0 6.270 86.000 -142.0 12.430 83.000 -183.0 5.000 -61.0 -1.710 -25.3 0.000 -9.3e+061 5.000 -61.1 -0.201 -17.2 0.61 0.84 2 1TQX_A c.1.2.2 188.44.3.3 NONE -72.828 0 1 77.09% 11.36% OPTM -680.810 -500.610 1.372 0.331 0.507 0.735 0.872 14.600 -39.9 1.180 63.500 15.5 0.560 9.000 -85.5 0.740 4.740 17.3 0.190 2.550 -48.6 0.310 -0.760 59.4 -0.590 -1.140 -26.6 5.720 18.390 2.7 7.060 8.200 -58.8 -30.000 34.000 -110.0 -30.000 18.000 -125.0 1.100 45.000 83.0 0.490 2.000 -47.0 4.970 18.000 -56.0 4.860 17.000 -124.0 5.000 -0.3 -0.178 -21.7 49.000 210.0 5.000 -0.3 -0.041 -0.2 0.09 0.71 3 1H1Y_A c.1.2.2 188.44.3.3 NONE -73.013 0 1 76.73% 9.47% OPTM -655.517 -456.830 1.167 0.380 0.431 0.727 0.869 16.050 -40.5 1.370 72.500 15.0 1.950 24.500 -106.5 1.960 11.850 9.4 -0.020 -2.600 -38.8 1.440 9.500 49.5 -0.840 -4.710 -21.7 6.180 14.830 1.9 6.220 9.980 -55.0 -30.000 38.000 -115.0 -30.000 11.000 -119.0 1.080 66.000 83.0 0.330 -6.000 -45.0 3.370 8.000 -30.0 3.750 15.000 -106.0 5.000 -2.7 -0.094 -28.6 -24.000 294.0 5.000 -2.7 0.653 -1.2 0.06 0.75 4 1J2W_A c.1.10.1 188.44.7.7 NONE -73.019 0 1 68.36% 11.03% OPTM -535.057 -488.370 1.184 0.412 0.357 0.689 0.851 14.310 -42.0 0.650 34.500 57.5 0.380 3.000 -77.5 2.750 21.200 7.9 1.940 11.820 -52.0 2.890 21.870 50.0 -0.040 0.490 -26.6 3.470 -2.020 20.9 6.440 7.590 -55.5 -30.000 20.000 -101.0 -30.000 1.000 -125.0 1.870 71.000 109.0 2.460 18.000 -52.0 2.350 28.000 -25.0 4.840 20.000 -129.0 5.000 -0.1 -2.534 -21.9 0.000 -9.3e+061 5.000 -0.1 0.756 -0.6 0.25 0.93 5 3CJP_A not_found 55.55.55.55 NONE -73.333 0 1 87.64% 15.07% OPTM -600.469 -560.310 2.167 0.417 0.583 0.804 0.834 18.190 -52.4 3.680 102.000 -103.0 3.460 39.000 -130.5 1.350 -6.400 -17.9 0.260 -3.900 -51.9 2.530 -2.920 6.7 0.170 -2.870 -31.6 5.180 16.020 -43.5 9.320 12.450 -75.3 -30.000 40.000 -155.0 -30.000 25.000 -161.0 2.610 60.500 -22.0 2.500 19.000 -80.0 5.100 16.000 -132.0 6.430 35.000 -155.0 5.000 -0.8 -2.814 -17.8 0.000 -9.3e+061 5.000 -0.8 0.279 -0.4 0.77 0.93 RMSD table between hits (RMSDs are shaded according to similarity, up to 10Å )

1

2

3

4

5

1

0.00

11.85

12.06

10.03

11.06

2

11.85

0.00

5.39

11.60

8.88

3

12.06

5.39

0.00

11.64

9.19

4

10.03

11.60

11.64

0.00

13.10

5

11.06

8.88

9.19

13.10

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

11.36

11.74

9.13

12.27

2

11.36

100.00

32.20

9.65

15.33

3

11.74

32.20

100.00

8.11

11.88

4

9.13

9.65

8.11

100.00

11.41

5

12.27

15.33

11.88

11.41

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

26.52

17.05

41.06

45.35

2

26.52

100.00

100.00

21.24

46.36

3

17.05

100.00

100.00

22.78

35.63

4

41.06

21.24

22.78

100.00

44.49

5

45.35

46.36

35.63

44.49

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: 35.12% helical, 14.05% extended, 50.83% loops/other (query: 41.82% 12.73% 45.45%)

  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.
2YXO_A               not_found     55.55.55.55            NONE   -71.921     0       1  86.91%  26.10%   OPTM    -1000.480     -726.730        7.162        0.500        0.815        0.872        0.902     51.540     -83.5     9.550   215.000    -260.0    17.040   248.000    -348.5    -0.820    -1.460     -12.3    -0.610    -7.440     -45.8     1.120    11.040       9.6    -0.120     3.750     -31.6     4.380    31.730     -45.5    10.520    24.850     -75.1   -30.000    54.000    -167.0   -30.000    56.000    -186.0    23.590   555.000    -520.0    59.640   565.000    -625.0     6.270    86.000    -142.0    12.430    83.000    -183.0     5.000     -61.0    -1.710     -25.3     0.000 -9.3e+061     5.000     -61.1    -0.201     -17.2    0.61  0.84

alignment source: OPTM
 +++ there is a problem with all-atom model, click here for details
            ---------------HHHHHHHHHHH----EEEEE--------------------------HHHHHHHHHHHHHHHHHH-
Query:    4 DGHTHTEFCPHGTHDDVEEMVLKAIELDFDEYSIVEHAPLSSEFMKNTAGDKEAVTTASMAMSDLPYYFKKMNHIKKKYA   83
Sbjct:    3 DSHVHTPLCGHAEGHP-EAYLEEARAKGLKGVVFTDHSPMPPWY------DPE----SRMRLEALPFYLLALERVRERAQ   71
            EEE-----------HH HHHHHHHH----EEEEEEE--------      ---    ------HHHHHHHHHHHHHH---

            ---EEEEEEEEE-----HHHHHHHHHHH----EEEEEEEEE-------------HHHHHHHHHHHH--HHHHHHHHHHHH
Query:   84 SDLLIHIGFEVDYLIGYEDFTRDFLNEYGPQTDDGVLSLHFLEGQGGFRSIDFSAEDYNEGIVQFYGGFEQAQLAYLEGV  163
Sbjct:   72 -DLYVGIGLEADFHPGTEGFLAQLLRRY--PFDYVIGSVHYL-GAWPLDHPD-HQEEYA------WRDLKEVFRAYFQEV  140
             -EEEEEEEEE-----HHHHHHHHH---  ---EEEE----- --------- ------      --HHHHHHHHHHHHH

            HHHHHH-------EEEE---HHHH------------HHHHHHHHHHHHHHHHH---EEEE---------------HHHHH
Query:  164 KQSIEADLGLFKPRRMGHISLCQKFQQFFGEDTSDFSEEVMEKFRVILALVKKRDYELDFNTAGLFKPLCGETYPPKKIV  243
Sbjct:  141 EKAARS--GLFH--AIGHLDLPKKFGHRLP------EEALLELAEPALRAVAEAGLFLDVNTAGLRRPA-KEVYPAPALL  209
            HHH---  ---E  E--------------H      HHHHHHHHHHHHHHHHH--EEEEE--------- -----HHHHH

            HHHHH---EEEE------HHHHHHHHHHHHHH
Query:  244 TLASELQIPFVYGSDSHGVQDIGRGYSTYCQK  275
Sbjct:  210 RRARELGIGLVLGSDAHRPEEVGFAFPEVQAL  241
            HHHHH---EEEE------------HHHHHHHH

239 residues (86.91%) 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: 32.27% helical, 17.73% extended, 50.00% loops/other (query: 41.82% 12.73% 45.45%) SCOP classification: [Alpha and beta proteins (a/b)]/[TIM beta/alpha-barrel] 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. 1TQX_A c.1.2.2 188.44.3.3 NONE -72.828 0 1 77.09% 11.36% OPTM -680.810 -500.610 1.372 0.331 0.507 0.735 0.872 14.600 -39.9 1.180 63.500 15.5 0.560 9.000 -85.5 0.740 4.740 17.3 0.190 2.550 -48.6 0.310 -0.760 59.4 -0.590 -1.140 -26.6 5.720 18.390 2.7 7.060 8.200 -58.8 -30.000 34.000 -110.0 -30.000 18.000 -125.0 1.100 45.000 83.0 0.490 2.000 -47.0 4.970 18.000 -56.0 4.860 17.000 -124.0 5.000 -0.3 -0.178 -21.7 49.000 210.0 5.000 -0.3 -0.041 -0.2 0.09 0.71 alignment source: OPTM +++ there is a problem with all-atom model, click here for details -------HHHHHHHHHHH----EEEEE--------------------------HHHHHHHHHHHHHHHHHH----EEEEE Query: 12 CPHGTHDDVEEMVLKAIELDFDEYSIVEHAPLSSEFMKNTAGDKEAVTTASMAMSDLPYYFKKMNHIKKKYASDLLIHIG 91 Sbjct: 12 VLASNISKLAEETQRMESLGA-EWIHLDVMDMH--FVPNLSFG-----------------PPVINNLKK-YTKSIFFDVH 70 -------HHHHHHHHHH---- EEEEEEE---- -------H HHHHHH--- ----EEEEEE EEEE-----HHHHHHHHHHH---- EEEEEEEEE-------------HHHHHHHHHHHH-- HHHHHHHH Query: 92 FEVDYLIGYEDFTRDFLNEYGPQT-DDGVLSLHFLEGQGGFRSIDFSAEDYNEGIVQFYGG-----------FEQAQLAY 159 Sbjct: 71 LMVEY-----------PEKYVPLLKTSNQLTFHFEALNE-------DTERCIQLAKEIRDNNLWCGISIKPKTD------ 126 E---- -----------EEEEE------- HHHHHHHHHHHH----EEEEEE------ HHHHHHHHHH-------EEEE---HHHH------------HHHHHHHHHHHHHHHHH---EEEE---------------H Query: 160 LEGVKQSIEADLGLFKPRRMGHISLCQKFQQFFGEDTSDFSEEVMEKFRVILALVKKRDYELDFNTAGLFKPLCGETYPP 239 Sbjct: 127 VQKLVPILDTN--LINTVLVMTV------EPGFGGQS--FMHDMMGKVSFLRKKYK--NLNIQVDGG----------LNI 184 ---HHHH---- --EEEEE--- -------- ----HHHHHHHHHH--- -EEEEE--- -HH HHHHHHHHH---EEEE-- ----HHHHHHHHHHHHHH Query: 240 KKIVTLASELQIPFVYGS---DSHGVQDIGRGYSTYCQK 275 Sbjct: 185 ETTEISASHGANIIVAGTSIFNAEDPKYVIDTMRVSVQK 223 HHHHHHHH---EEEE-HHHH----HHHHHHHHHHHHHH- 212 residues (77.09%) 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: 34.40% helical, 17.89% extended, 47.71% loops/other (query: 41.82% 12.73% 45.45%) SCOP classification: [Alpha and beta proteins (a/b)]/[TIM beta/alpha-barrel] 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. 1H1Y_A c.1.2.2 188.44.3.3 NONE -73.013 0 1 76.73% 9.47% OPTM -655.517 -456.830 1.167 0.380 0.431 0.727 0.869 16.050 -40.5 1.370 72.500 15.0 1.950 24.500 -106.5 1.960 11.850 9.4 -0.020 -2.600 -38.8 1.440 9.500 49.5 -0.840 -4.710 -21.7 6.180 14.830 1.9 6.220 9.980 -55.0 -30.000 38.000 -115.0 -30.000 11.000 -119.0 1.080 66.000 83.0 0.330 -6.000 -45.0 3.370 8.000 -30.0 3.750 15.000 -106.0 5.000 -2.7 -0.094 -28.6 -24.000 294.0 5.000 -2.7 0.653 -1.2 0.06 0.75 alignment source: OPTM +++ there is a problem with all-atom model, click here for details -------HHHHHHHHHHH----EEEEE--------------------------HHHHHHHHHHHHHHHHHH----EEEEE Query: 12 CPHGTHDDVEEMVLKAIELDFDEYSIVEHAPLSSEFMKNTAGDKEAVTTASMAMSDLPYYFKKMNHIKKKYASDLLIHIG 91 Sbjct: 12 MLSSDFANLAAEADRMVRLGADWLHMDIMDGH---FVPNLTIG-----------------APVIQSLRK--HTKAYLDCH 69 -------HHHHHHHHHH----EEEEEEE---- -------H HHHHHHH-- ---EEEEEE EEEE-----HHHHHHHHHHH----EEEEEEEEE-------------HHHHHHHHHHH H--HHHHHHHHHHH Query: 92 FEVDYLIGYEDFTRDFLNEYGPQTDDGVLSLHFLEGQGGFRSIDFSAEDYNEGIVQF---------YGGFEQAQLAYLEG 162 Sbjct: 70 LMVT---NPSDYVEPLAKAGAS-----GFTFHIEVSRD-------NWQELIQSIKAKGMRPGVSLRPGTP-------VEE 127 E--- ----HHHHHHH---E EEEE------- HHHHHHHHHH---EEEEEE------ --- HHHHHHH-------EEEE---HHHH------------HHHHHHHHHHHHHHHHH---EEEE---------------HHHH Query: 163 VKQSIEADLGLFKPRRMGHISLCQKFQQFFGEDTSDFSEEVMEKFRVILALVKKRDYELDFNTAGLFKPLCGETYPPKKI 242 Sbjct: 128 VFPLVEAE-NPVELVLVMTV------EPGFGG--QKFMPEMMEKVRALRKKYP--SLDIEVDGG-----LGPST------ 185 HHHHH--- ---EEEEE--- ------ ------HHHHHHHHHH--- -EEEEE--- ----H HHHHHH---EEEE-- ----HHHHHHHHHHHHHH Query: 243 VTLASELQIPFVYGS----DSHGVQDIGRGYSTYCQK 275 Sbjct: 186 IDVAASAGANCIVAGSSIFGAAEPGEVISALRKSVEG 222 HHHHHH---EEEE-HHHH----HHHHHHHHHHHHHH- 211 residues (76.73%) 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: 43.65% helical, 14.21% extended, 42.13% loops/other (query: 41.82% 12.73% 45.45%) SCOP classification: [Alpha and beta proteins (a/b)]/[TIM beta/alpha-barrel] 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. 1J2W_A c.1.10.1 188.44.7.7 NONE -73.019 0 1 68.36% 11.03% OPTM -535.057 -488.370 1.184 0.412 0.357 0.689 0.851 14.310 -42.0 0.650 34.500 57.5 0.380 3.000 -77.5 2.750 21.200 7.9 1.940 11.820 -52.0 2.890 21.870 50.0 -0.040 0.490 -26.6 3.470 -2.020 20.9 6.440 7.590 -55.5 -30.000 20.000 -101.0 -30.000 1.000 -125.0 1.870 71.000 109.0 2.460 18.000 -52.0 2.350 28.000 -25.0 4.840 20.000 -129.0 5.000 -0.1 -2.534 -21.9 0.000 -9.3e+061 5.000 -0.1 0.756 -0.6 0.25 0.93 alignment source: OPTM -----------HHHHHHHHHHH----EEEEE--------------------------HHHHHHHHHHHHHHHHHH----E Query: 8 HTEFCPHGTHDDVEEMVLKAIELDFDEYSIVEHAPLSSEFMKNTAGDKEAVTTASMAMSDLPYYFKKMNHIKKKYASDLL 87 Sbjct: 9 HTLLKPTATLEEVAKAAEEALEYGF--YGLCIPP-------------------------------SYVAWVRARYP-HAP 54 E-------HHHHHHHHHHHHHH--- EEE---- -HHHHHHH--- --- EEEEEEEE----- HHHHHHHHHHH----EEEEEEEEE-------------HHHHHHHHHHHH--HHHHHHHHHHHHH Query: 88 IHIGFEVDYLIGY---EDFTRDFLNEYGPQTDDGVLSLHFLEGQGGFRSIDFSAEDYNEGIVQFYGGFEQAQLAYLEGVK 164 Sbjct: 55 FRLVTVVGFPLGYQEKEVKALEAALACARGADEVDMVLH---------------------LGRAKAG----DLDYLEAEV 109 EEEEEE--------HHHHHHHHHHHHH----EEEEE--H HHHH--- HHHHHHHHH HHHHH-------EEEE---HHHH------------HHHHHHHHHHHHHHHHH---EEEE---------------HHHHHH Query: 165 QSIEADLGLFKPRRMGHISLCQKFQQFFGEDTSDFSEEVMEKFRVILALVKKRDYELDFNTAGLFKPLCGETYPPKKIVT 244 Sbjct: 110 RAVREAVPQAVLKVILET-------GYFS----------PEEIARLAEAAIRGGADFLKTSTG-FGPR-GASLEDVALLV 170 HHHHH----EEEEE---- ---H HHHHHHHHHHHH----EEE----- ---- --HHHHHHHHH HHHH---EEEE------HHHHHHHHH Query: 245 LASELQIPFVYGSDSHGVQDIGRGYS 270 Sbjct: 171 RVAQGRAQVKAAGGIRDRETALRMLK 196 HH----EEEEE-----HHHHHHHHH- 188 residues (68.36%) 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: 44.21% helical, 13.64% extended, 42.15% loops/other (query: 41.82% 12.73% 45.45%) 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. 3CJP_A not_found 55.55.55.55 NONE -73.333 0 1 87.64% 15.07% OPTM -600.469 -560.310 2.167 0.417 0.583 0.804 0.834 18.190 -52.4 3.680 102.000 -103.0 3.460 39.000 -130.5 1.350 -6.400 -17.9 0.260 -3.900 -51.9 2.530 -2.920 6.7 0.170 -2.870 -31.6 5.180 16.020 -43.5 9.320 12.450 -75.3 -30.000 40.000 -155.0 -30.000 25.000 -161.0 2.610 60.500 -22.0 2.500 19.000 -80.0 5.100 16.000 -132.0 6.430 35.000 -155.0 5.000 -0.8 -2.814 -17.8 0.000 -9.3e+061 5.000 -0.8 0.279 -0.4 0.77 0.93 alignment source: OPTM +++ there is a problem with all-atom model, click here for details ------------------HHHHHHHHHHH----EEEEE----------- ---------------HHHHHHHH Query: 1 MKRDGHTHTEFCPHGTHDDVEEMVLKAIELDFDEYSIVEHAPLSSEFMK--------NTAGDKEAVTTASMAMSDLPYYF 72 Sbjct: 3 LIIDGHTHVIL-P------VEKHIKIMDEAGVDKTILFSTSIHPETAVNLRDVKKEMKKLNDVVNGKTNSM-IDVRRNSI 74 --EEEEEE--- - HHHHHHHHHHH---EEEEE-----------HHHHHHHHHHHHHHH------- HHHHHHHH HHHHHHHHHH----EEEEEEEEE-----HHHHHHHHHHH---- EEEEEEEEE-------------HHHHHHHHHHHH-- Query: 73 KKMNHIKKKYASDLLIHIGFEVDYLIGYEDFTRDFLNEYGPQT-DDGVLSLHFLEGQGGFRSIDFSAEDYNEGIVQFYGG 151 Sbjct: 75 KELTNVIQAYPSR---YVGFGNVPVGLSENDTNSYIEENIVNNKLVGIGELTPASGQ--IKSL----KPIFKYSMDSGSL 145 HHHHHHHHH---- EEEEE-------HHHHHHHHHHH-------EEEEE------ ---- HHHHHHHHH---- HHHHHHHHHHHHHHHHHH-------EEEE---HHHH------------HHHHHHHHHHHHHHHHH---EEEE-- Query: 152 ------FEQAQLAYLEGVKQSIEADLGLFKPRRMGHISLCQKFQQFFGEDTSDFSEEVMEKFRVILALVKKRDYELDFNT 225 Sbjct: 146 PIWIHAFNPLVLQDIKEIAELCKAFPKV--PVILGHMG--------------------GSNWMTAVELAKEIQNLYLDTS 203 -EEE-------HHHHHHHHHHHHH---- -EEE---- ---HHHHHHHHHH---EEEE-- -------------HHHHHHHHHH---EEEE----- -HHHHHHHHHHH Query: 226 AGLFKPLCGETYPPKKIVTLASELQIPFVYGSDSH--GVQDIGRGYSTY 272 Sbjct: 204 A---------YFSTFVLKIVINELPLKCIFGTDMPFGDLQLSIEAIKKM 243 - ---HHHHHHHHHH----EE---------HHHHHHHHHHH 241 residues (87.64%) of query sequence aligned
DONE: Sun Aug 17 04:52:07 2008 EST