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 19:22:57 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 T0407
    --> 363 residues, sequence name: T0407
   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 0 2 0 0 0 0 1 1
3 dynamic database entries created: 1RWB_A 1GCO_A 1GEE_A RESULTS secondary structure prediction shows 23.69% helical, 28.10% extended and 48.21% loops/other homologs/domains used: 0 query sequence T0407 all homologs found total number of entries processed: 303 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 2ANU_A c.6.3.1 206.5.1.1 NONE -95.850 0 1 60.61% 21.15% OPTM -663.821 -503.280 1.663 0.481 0.694 0.866 0.893 38.280 -65.2 3.310 25.500 165.5 8.990 93.500 -215.0 0.090 6.490 121.1 -0.500 0.860 -44.0 -0.390 5.640 186.3 0.010 2.460 -27.6 1.120 -3.690 133.1 4.400 -0.140 -50.8 -30.000 1.000 -33.0 -30.000 33.000 -151.0 4.510 62.000 209.0 18.550 126.000 -172.0 -0.780 3.000 164.0 6.930 28.000 -135.0 5.000 -39.5 -0.207 -12.4 0.000 -9.3e+061 5.000 -43.3 -3.699 -7.4 0.20 0.84 2 1VLW_A c.1.10.1 206.78.13.12 NONE -96.390 0 1 50.96% 11.54% OPTM -559.083 -347.480 -0.158 0.447 0.514 0.780 0.889 12.920 -41.9 0.540 7.000 303.0 0.350 11.000 -85.0 1.010 8.730 136.7 -2.470 -2.690 -39.3 1.340 8.870 198.6 -1.480 -1.730 -27.1 1.420 2.050 157.4 7.200 4.610 -50.4 -30.000 0.000 -12.0 -30.000 2.000 -114.0 1.540 40.000 314.0 0.040 7.000 -39.0 -3.270 1.000 213.0 0.820 2.000 -106.0 5.000 -0.2 -2.326 -20.0 0.000 -9.3e+061 5.000 -0.2 0.301 -0.4 0.27 0.41 3 1DL3_A c.1.2.4 206.78.21.8 NONE -96.630 0 1 51.52% 10.97% OPTM -515.954 -455.810 -0.267 0.423 0.439 0.738 0.910 10.950 -44.2 1.500 1.500 298.5 0.690 3.000 -101.0 -0.470 -7.620 144.9 -2.420 -9.040 -35.8 0.340 4.660 206.3 -0.290 4.430 -26.3 1.930 -6.430 160.8 7.280 1.360 -51.1 -30.000 0.000 -1.0 -30.000 -13.000 -115.0 1.060 -9.000 346.0 0.710 0.000 -47.0 -3.570 5.000 266.0 -0.410 -2.000 -95.0 5.000 -0.5 -2.650 -16.4 0.000 -9.3e+061 5.000 -0.4 -0.770 -0.2 0.21 0.67 4 2YXO_A not_found 40.40.40.40 NONE -96.728 0 1 60.88% 17.65% OPTM -516.708 -507.890 0.909 0.375 0.588 0.717 0.846 25.600 -52.7 2.060 56.500 75.0 1.920 44.000 -126.5 -0.470 -6.210 64.7 -1.650 -3.060 -45.3 -0.150 -1.260 118.7 -0.360 -1.030 -32.3 2.850 -9.170 61.0 10.060 9.640 -71.1 -30.000 -5.000 -96.0 -30.000 -8.000 -147.0 0.680 0.000 152.0 6.910 67.000 -115.0 -1.230 4.000 46.0 2.780 19.000 -127.0 5.000 -4.0 -0.318 -22.1 0.000 -9.3e+061 5.000 -4.0 0.279 -0.9 0.26 0.60 5 1H1Y_A c.1.2.2 206.78.21.3 NONE -96.783 0 1 58.68% 11.11% OPTM -498.975 -370.790 0.226 0.383 0.587 0.763 0.813 11.410 -44.2 -0.070 20.500 254.0 -0.120 9.000 -80.0 -1.790 -6.620 104.7 -1.710 1.090 -35.6 -1.990 -7.470 166.6 -0.400 2.560 -24.9 4.280 -14.610 106.1 8.970 8.940 -61.4 -30.000 -1.000 -40.0 -30.000 11.000 -135.0 0.360 -9.000 273.0 1.290 11.000 -54.0 -1.750 -1.000 190.0 4.200 14.000 -110.0 5.000 -0.5 1.487 -22.6 -17.000 261.0 5.000 -0.5 1.230 1.0 0.30 0.61 RMSD table between hits (RMSDs are shaded according to similarity, up to 10Å )

1

2

3

4

5

1

0.00

13.03

14.32

9.85

10.39

2

13.03

0.00

8.04

11.20

10.87

3

14.32

8.04

0.00

12.36

11.11

4

9.85

11.20

12.36

0.00

9.34

5

10.39

10.87

11.11

9.34

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

12.33

12.16

23.08

13.70

2

12.33

100.00

17.95

12.39

14.10

3

12.16

17.95

100.00

13.57

20.51

4

23.08

12.39

13.57

100.00

15.14

5

13.70

14.10

20.51

15.14

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

36.99

27.93

39.37

38.36

2

36.99

100.00

44.44

43.12

43.16

3

27.93

44.44

100.00

30.77

46.58

4

39.37

43.12

30.77

100.00

41.28

5

38.36

43.16

46.58

41.28

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: 30.59% helical, 26.94% extended, 42.47% loops/other (query: 23.69% 28.10% 48.21%)

  SCOP classification:  [Alpha and beta proteins (a/b)]/[7-stranded 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.
2ANU_A               c.6.3.1       206.5.1.1              NONE   -95.850     0       1  60.61%  21.15%   OPTM     -663.821     -503.280        1.663        0.481        0.694        0.866        0.893     38.280     -65.2     3.310    25.500     165.5     8.990    93.500    -215.0     0.090     6.490     121.1    -0.500     0.860     -44.0    -0.390     5.640     186.3     0.010     2.460     -27.6     1.120    -3.690     133.1     4.400    -0.140     -50.8   -30.000     1.000     -33.0   -30.000    33.000    -151.0     4.510    62.000     209.0    18.550   126.000    -172.0    -0.780     3.000     164.0     6.930    28.000    -135.0     5.000     -39.5    -0.207     -12.4     0.000 -9.3e+061     5.000     -43.3    -3.699      -7.4    0.20  0.84

alignment source: OPTM
 +++ there is a problem with all-atom model, click here for details
            --EEEEEEEEEEEE------HHHHHHHHHH----EEEEE------         ----------     HHHHHHHHHHH
Query:   36 YTTLKCDFHMHSVFSDGLVWPTVRVDEAYRDGLDAISLTEHIEYR---------PHKQDVVSDH-----NRSFDLCREQA  101
Sbjct:    5 TEWLLCDFHVHTN-SDGHLPLGEVVDLFGKHGVDVVSITDHIVDRRTLEQRKRNGEPLGAITEDKFQDYLKRLWREQKRA   83
            -EEEEEEEEE--- ------HHHHHHHHHH----EEEEEEEEE-HHHHHHHHH------------HHHHHHHHHHHHHHH

            HH---EEEEEEEEE------EEEEEEE----------HHHHHHHHHH---EEEE----------------HHHHHHHH--
Query:  102 EKLGILLIKGSEITRAMAPGHFNAIFLSDSNPLEQKDYKDAFREAKKQGAFMFWNHPGWDSQQPDTTKWWPEHTALYQEG  181
Sbjct:   84 WEEYGILIPGVEITNNTDLYHIVAVDVKEYVD-PSLPVEEIVEKLKEQNALVIAAHPD-----RKKLSW-----YLWANE  152
            HHHH--EEEEEEEEE----EEEEEE------- ----HHHHHHHHHH---EEEE----     ------     HHHH--

                --EEEEEE------HHHHHHHHH---EEEEE--------------------EEEEEE----HHHHHHHHH----EE
Query:  182 ----CMHGIEVANGHLYMPEAIQWCLDKNLTMIGTSDIHQPIQTDYDFEKGEHRTMTFVFAKERSLQGIREALDNRRTAA  257
Sbjct:  153 RFKDTFDAWEIANRDDLFN----SVGVKKYRYVANSDFHE-LWHVYSW-------KTLVKSEKN-IEAIKEAIRKNTDVA  219
            -------EEEEEE--EE-H    HHHH----EEEE----- -------       EEEEEE--- HHHHHHHHHH---EE

            EE---
Query:  258 YFHEL  262
Sbjct:  220 IYLRK  224
            EE---

220 residues (60.61%) 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: 40.70% helical, 15.58% extended, 43.72% loops/other (query: 23.69% 28.10% 48.21%) 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. 1VLW_A c.1.10.1 206.78.13.12 NONE -96.390 0 1 50.96% 11.54% OPTM -559.083 -347.480 -0.158 0.447 0.514 0.780 0.889 12.920 -41.9 0.540 7.000 303.0 0.350 11.000 -85.0 1.010 8.730 136.7 -2.470 -2.690 -39.3 1.340 8.870 198.6 -1.480 -1.730 -27.1 1.420 2.050 157.4 7.200 4.610 -50.4 -30.000 0.000 -12.0 -30.000 2.000 -114.0 1.540 40.000 314.0 0.040 7.000 -39.0 -3.270 1.000 213.0 0.820 2.000 -106.0 5.000 -0.2 -2.326 -20.0 0.000 -9.3e+061 5.000 -0.2 0.301 -0.4 0.27 0.41 alignment source: OPTM +++ there is a problem with all-atom model, click here for details EEEEEE------HHHHHHHHHH----EEEEE----------------HHHHHHHHHHHHH---EEEEEEEEE------EE Query: 44 HMHSVFSDGLVWPTVRVDEAYRDGLDAISLTEHIEYRPHKQDVVSDHNRSFDLCREQAEKLGILLIKGSEITRAMAPGHF 123 Sbjct: 16 IVAVLRANSVEEAKEKALAVFEGGVHLIEITFT----------VPDADTVIKELSFLKEK----------------GAII 69 EEEE----HHHHHHHHHHHHH----EEEEE--- --HHHHHH--HHHH--- -EEE EEEEE----------HHHHHHHHHH---EEEE----------------HHHHHHHH----EEEEEE------HHHHHHHH Query: 124 NAIFLSDSNPLEQKDYKDAFREAKKQGAFMFWNHPGWDSQQPDTTKWWPEHTALYQEGCMHGIEVANGHLYMPEAIQWCL 203 Sbjct: 70 GAGTVTS---------VEQCRKAVESGAEFIVSP-----------HLDEEISQFCKEKGVFYMPGVMT----PTELVKAM 125 EE----H HHHHHHHHH----EE--- --HHHHHHHHH----EE-EE--H HHHHHHHH H---EEEEE--------------------EEEEEE----HHHHHHHHH----EEEE----- --HHHHHHHHHHH Query: 204 DKNLTMIGTSDIHQPIQTDYDFEKGEHRTMTFVFAKERSLQGIREALDNRRTAAYFHELLI-GREDLLRPFFEKC 277 Sbjct: 126 KLGHTILKLFPGEVVGPQFVKAMKGPFPNVKFVPTGGVNLDNVCEWFKAGVLAVGVGSALVKGTPDEVREKAKAF 200 ----EEEE-------HHHHHHHH------EEEE--------HHHHHH-----EEE-HHHH---HHHHHHHHHHHH 185 residues (50.96%) 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: 35.45% helical, 23.28% extended, 41.27% loops/other (query: 23.69% 28.10% 48.21%) 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. 1DL3_A c.1.2.4 206.78.21.8 NONE -96.630 0 1 51.52% 10.97% OPTM -515.954 -455.810 -0.267 0.423 0.439 0.738 0.910 10.950 -44.2 1.500 1.500 298.5 0.690 3.000 -101.0 -0.470 -7.620 144.9 -2.420 -9.040 -35.8 0.340 4.660 206.3 -0.290 4.430 -26.3 1.930 -6.430 160.8 7.280 1.360 -51.1 -30.000 0.000 -1.0 -30.000 -13.000 -115.0 1.060 -9.000 346.0 0.710 0.000 -47.0 -3.570 5.000 266.0 -0.410 -2.000 -95.0 5.000 -0.5 -2.650 -16.4 0.000 -9.3e+061 5.000 -0.4 -0.770 -0.2 0.21 0.67 alignment source: OPTM +++ there is a problem with all-atom model, click here for details EEEEEEEEE------HHHHHHHHHH----EEEEE----------------HHHHHHHHHHHHH---EEEEEEEEE----- Query: 41 CDFHMHSVFSDGLVWPTVRVDEAYRDGLDAISLTEHIEYRPHKQDVVSDHNRSFDLCREQAEKLGILLIKGSEITRAMAP 120 Sbjct: 2 VRVKICGITN------LEDALFSVESGADYVGFVFY----PKSKRYIS-----PEDARRISVEL---------------P 51 EEEEE----H HHHHHHHH----EEEEE--- -------H HHHHHHH---- - -EEEEEEE----------HHHHHHHHHH---EEEE----------------HHHHHHHH----EEEEEE------HHHHH Query: 121 GHFNAIFLSDSNPLEQKDYKDAFREAKKQGAFMFWNHPGWDSQQPDTTKWWPEHTALYQEGCMHGIEVANGHLYMPEAIQ 200 Sbjct: 52 VERVGVFVN-------EEPEKILDVASYVQLNAVQLHG----EEP------IELCRKIAERILVWKAVGVSN---ERDME 111 EEEEEE--- -HHHHHHHHHHH---EEEE--- --H HHHHHHH---EEEEEEE---H HHHHH HHHH-- -EEEEE--------------------EEEEEE----HHHHHHHHH---- EEEE-- ---- -HHHHHHH Query: 201 WCLDKN-LTMIGTSDIHQPIQTDYDFEKGEHRTMTFVFAKERSLQGIREALDNRRT-AAYFHE---LLIG--REDLLRPF 273 Sbjct: 112 RALNYREFPILLDTDWSLILPYRDRFRY-------LVLSGGLNPENVRSAIDVVRPFAVDVSSGVEAFPGKKDHDSIKMF 184 HH------EEEE---------------E EEE----HHHHHHHHHHH---EEEE----EEE--EE-HHHHHHHH HHHH Query: 274 FEKC 277 Sbjct: 185 IKNA 188 HHHH 187 residues (51.52%) 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: 33.59% helical, 17.94% extended, 48.47% loops/other (query: 23.69% 28.10% 48.21%) 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. 2YXO_A not_found 40.40.40.40 NONE -96.728 0 1 60.88% 17.65% OPTM -516.708 -507.890 0.909 0.375 0.588 0.717 0.846 25.600 -52.7 2.060 56.500 75.0 1.920 44.000 -126.5 -0.470 -6.210 64.7 -1.650 -3.060 -45.3 -0.150 -1.260 118.7 -0.360 -1.030 -32.3 2.850 -9.170 61.0 10.060 9.640 -71.1 -30.000 -5.000 -96.0 -30.000 -8.000 -147.0 0.680 0.000 152.0 6.910 67.000 -115.0 -1.230 4.000 46.0 2.780 19.000 -127.0 5.000 -4.0 -0.318 -22.1 0.000 -9.3e+061 5.000 -4.0 0.279 -0.9 0.26 0.60 alignment source: OPTM +++ there is a problem with all-atom model, click here for details EEEEEEEEE-- ----HHHHHHHHHH----EEEEE-- --------------HHHHHHHHHHHHH-- -EEEEEEEE Query: 41 CDFHMHSVFSD-GLVWPTVRVDEAYRDGLDAISLTEH----IEYRPHKQDVVSDHNRSFDLCREQAEKLG-ILLIKGSEI 114 Sbjct: 2 VDSHVHTPLCGHAEGHPEAYLEEARAKGLKGVVFTDHSPMPPWYDPESRMRLEALPFYLLALERVRERAQDLYVGIGLEA 81 EEEE-----------HHHHHHHHHH----EEEEEEE-----------------HHHHHHHHHHHHHH----EEEEEEEEE E--- ---EEEEEEE---------- HHHHHHHHHH---EEEE--------- Query: 115 TRAM--------------APGHFNAIFLSDSNPLEQKD----------------YKDAFREAKKQGAFMFWNHPGWDSQQ 164 Sbjct: 82 DFHPGTEGFLAQLLRRYPFDYVIGSVHYLGAWPLDHPDHQEEYAWRDLKEVFRAYFQEVEKAARSGLFHAIGHLDLPKKF 161 -----HHHHHHHHH------EEEE----------------------HHHHHHHHHHHHHHHH------EE---------- ----- --HHHHHHHH----EEEEEE---- --HHHHHHHHH---EEEEE----------------- Query: 165 PDTTK-------WWPEHTALYQEGCMHGIEVANGHL--------YMPEAIQWCLDKNLTMIGTSDIHQPIQTDYDFEKGE 229 Sbjct: 162 GHRLPEEALLELAEPALRAVAEAGL--FLDVNTAGLRRPAKEVYPAPALLRRARELGIGLVLGSDAHRPEEVGFA----- 234 ----HHHHHHHHHHHHHHHHHH--E EEEE--------------HHHHHHHHHH---EEEE------------H ---EEEEEE----HHHHHHHHH-- --EEEE-- Query: 230 HRTMTFVFAKERSLQGIREALDNR--RTAAYFHE 261 Sbjct: 235 -------------FPEVQALLAGLGFREAYYFVE 255 HHHHHHHHHH---EEEEEE-- 221 residues (60.88%) 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: 34.10% helical, 18.89% extended, 47.00% loops/other (query: 23.69% 28.10% 48.21%) 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.1.2.2 206.78.21.3 NONE -96.783 0 1 58.68% 11.11% OPTM -498.975 -370.790 0.226 0.383 0.587 0.763 0.813 11.410 -44.2 -0.070 20.500 254.0 -0.120 9.000 -80.0 -1.790 -6.620 104.7 -1.710 1.090 -35.6 -1.990 -7.470 166.6 -0.400 2.560 -24.9 4.280 -14.610 106.1 8.970 8.940 -61.4 -30.000 -1.000 -40.0 -30.000 11.000 -135.0 0.360 -9.000 273.0 1.290 11.000 -54.0 -1.750 -1.000 190.0 4.200 14.000 -110.0 5.000 -0.5 1.487 -22.6 -17.000 261.0 5.000 -0.5 1.230 1.0 0.30 0.61 alignment source: OPTM +++ there is a problem with all-atom model, click here for details EEEEEE------HHHHHHHHHH----EEEEE----------------HHHHHHHHHHHHH---EEEEEEEEE---- Query: 44 HMHSVFSDGLVWPTVRVDEAYRDGLDAISLTEHIEYRPHKQDVVSDHNRSFDLCREQAEKLGILLIKGSEITRAMA---- 119 Sbjct: 8 IAPSMLSSDFANLAAEADRMVRLGADWLHMDIMDGHFVPNLTIG------APVIQSLRKHTKAYLDCHLMVTNPSDYVEP 81 EE---------HHHHHHHHHH----EEEEEEE-----------H HHHHHHH-----EEEEEEE-------HHHH --EEEEEEE----------HHHHHHHHHH--- EEEE----------------HHHHHHHH- ---EEEEEE- Query: 120 ---PGHFNAIFLSDSNPLEQKDYKDAFREAKKQGA-FMFWNHPGWDSQQPDTTKWWPEHTALYQE-GCMHGIEVAN---- 190 Sbjct: 82 LAKAGASGFTFHIEVS---RDNWQELIQSIKAKGMRPGVSLRPGTP---------VEEVFPLVEAENPVELVLVMTVEPG 149 HHH---EEEEE----- --HHHHHHHHHH---EEEEEE------ ---HHHHH------EEEEE------ -----H HHHHHHHH-- -EEEEE--------------------EEEEEE----HHHHHHHHH----EEEE---- Query: 191 --GHLYMP---EAIQWCLDKN--LTMIGTSDIHQPIQTDYDFEKGEHRTMTFVFAKERSLQGIREALDNRRTAAYFHELL 263 Sbjct: 150 FGGQKFMPEMMEKVRALRKKYPSLDIEVDGGLGPST--------------------------IDVAASAGANCIVAGSSI 203 ---------HHHHHHHHHH----EEEEE-------H HHHHHH---EEEE-HHHH --- HHHHHHHHHHH Query: 264 IGR---EDLLRPFFEKC 277 Sbjct: 204 FGAAEPGEVISALRKSV 220 ----HHHHHHHHHHHHH 213 residues (58.68%) of query sequence aligned
DONE: Sat Aug 09 04:12:23 2008 EST