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 16:58:57 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 T0405
    --> 282 residues, sequence name: T0405
   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 0 0 0 0 0 1 6
RESULTS secondary structure prediction shows 52.48% helical, 11.70% extended and 35.82% loops/other homologs/domains used: 0 query sequence T0405 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 2QGU_A not_found 84.84.84.84 NONE -74.096 0 1 63.12% 11.50% OPTM -816.623 -413.620 0.860 0.490 0.390 0.720 0.904 8.390 -39.5 -1.030 -31.500 144.5 -0.660 6.000 -80.5 -1.480 -1.590 74.3 1.330 -0.750 -38.6 -1.110 -5.680 115.6 0.590 -3.530 -23.1 5.940 10.450 56.0 10.820 -4.420 -60.4 -30.000 23.000 -44.0 -30.000 -8.000 -115.0 0.220 2.500 145.5 -1.430 -5.000 -41.0 -0.750 -1.000 117.0 0.850 -8.000 -85.0 5.000 -0.8 -0.479 -20.6 0.000 -9.3e+061 5.000 -0.7 0.633 -0.8 0.35 0.79 2 1IZN_A e.43.1.1 3.2.2.1 NONE -999.000 0 1 95.04% 8.09% OPTM -583.609 -334.440 1.631 0.443 0.352 0.657 0.664 12.990 -42.5 1.060 52.500 -95.5 0.030 21.500 -118.5 0.360 -4.270 -34.7 1.440 0.600 -48.4 0.130 -4.880 -6.4 1.670 3.000 -30.0 7.870 30.960 -69.3 14.020 26.620 -78.3 -30.000 50.000 -152.0 -30.000 48.000 -153.0 0.630 16.000 -5.0 0.440 6.000 -64.0 4.030 8.000 -53.0 3.580 -5.000 -94.0 5.000 0.7 0.403 -19.5 174.000 336.0 5.000 0.7 0.886 1.0 0.81 0.35 3 2F4M_A not_found 84.84.84.84 NONE -999.000 0 1 93.62% 9.47% OPTM -494.008 -313.900 1.623 0.410 0.421 0.711 0.786 5.020 -37.0 0.660 39.000 -35.5 -1.140 -7.000 -72.0 0.280 -5.220 -34.3 0.600 -0.270 -46.9 -0.110 -4.330 1.9 0.060 2.040 -24.6 7.520 17.090 -71.5 7.700 7.200 -73.5 -30.000 40.000 -179.0 -30.000 37.000 -185.0 2.170 36.000 11.0 1.320 12.000 -61.0 1.970 -2.000 -70.0 3.780 5.000 -104.0 5.000 0.2 -0.381 -22.3 0.000 -9.3e+061 5.000 0.2 1.255 0.6 0.59 0.66 4 d.144.1.4.1_A d.144.1.4 31.1.1.1 NONE -999.000 0 1 97.87% 10.14% OPTM -687.033 -348.560 1.585 0.451 0.614 0.538 0.693 3.360 -46.7 0.830 24.000 18.0 0.430 0.500 -119.0 -0.130 -2.040 153.2 0.740 -1.980 -51.0 -0.140 1.800 188.3 2.530 2.640 -36.5 1.270 -5.920 84.3 7.200 -1.130 -73.2 -30.000 12.000 -131.0 -30.000 11.000 -155.0 1.550 44.000 97.0 0.450 4.000 -66.0 4.560 9.000 -49.0 2.890 -2.000 -120.0 5.000 0.0 -1.104 -19.1 -129.000 518.0 5.000 0.0 -0.056 1.0 0.67 0.75 5 1JII_A c.26.1.1 23.1.1.1 NONE -999.000 0 1 99.65% 13.17% OPTM -635.795 -420.700 1.582 0.453 0.512 0.692 0.777 16.120 -45.7 -0.270 -25.500 -15.5 0.890 -18.000 -120.5 1.370 3.180 -5.7 1.130 0.280 -58.7 0.190 -3.350 38.7 0.300 -2.050 -31.7 1.620 -2.510 -17.9 6.400 16.020 -79.9 -30.000 19.000 -146.0 -30.000 23.000 -160.0 2.470 38.000 54.0 0.900 20.000 -62.0 2.560 3.000 -91.0 3.830 22.000 -127.0 5.000 0.4 -1.815 -17.6 0.000 -9.3e+061 5.000 0.6 -0.569 0.4 0.74 0.82 RMSD table between hits (RMSDs are shaded according to similarity, up to 10Å )

1

2

3

4

5

1

0.00

21.25

20.95

20.74

21.44

2

21.25

0.00

21.87

16.68

22.15

3

20.95

21.87

0.00

20.35

20.53

4

20.74

16.68

20.35

0.00

19.98

5

21.44

22.15

20.53

19.98

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

11.95

9.73

13.27

11.06

2

11.95

100.00

8.33

11.90

9.59

3

9.73

8.33

100.00

9.47

9.09

4

13.27

11.90

9.47

100.00

10.14

5

11.06

9.59

9.09

10.14

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

16.37

19.47

17.70

16.37

2

16.37

100.00

15.15

18.59

15.87

3

19.47

15.15

100.00

14.39

17.42

4

17.70

18.59

14.39

100.00

20.65

5

16.37

15.87

17.42

20.65

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: 53.67% helical, 20.90% extended, 25.42% loops/other (query: 52.48% 11.70% 35.82%)

  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.
2QGU_A               not_found     84.84.84.84            NONE   -74.096     0       1  63.12%  11.50%   OPTM     -816.623     -413.620        0.860        0.490        0.390        0.720        0.904      8.390     -39.5    -1.030   -31.500     144.5    -0.660     6.000     -80.5    -1.480    -1.590      74.3     1.330    -0.750     -38.6    -1.110    -5.680     115.6     0.590    -3.530     -23.1     5.940    10.450      56.0    10.820    -4.420     -60.4   -30.000    23.000     -44.0   -30.000    -8.000    -115.0     0.220     2.500     145.5    -1.430    -5.000     -41.0    -0.750    -1.000     117.0     0.850    -8.000     -85.0     5.000      -0.8    -0.479     -20.6     0.000 -9.3e+061     5.000      -0.7     0.633      -0.8    0.35  0.79

alignment source: OPTM
 +++ there is a problem with all-atom model, click here for details
            -HHHHHHHHHHHHHHHHHHHHHHH------HHHHHHHHHHHHHH------------EEEE------HHHHHHH-------
Query:   28 EAAQMRAEEVIGEIAIVIAPLVEKLGIENKTVKKTIPFLYELQKNQFCDMSAYPYPLLLVNGTSTDTEKYWRDLPTYWTD  107
Sbjct:   29 ADAQATVKTAVDDVLATIKGDPDLRGGN----LQKVFQLVDQKIV-----------------PRADFKRTTQIAGRFWSQ   87
            --HHHHHHHHHHHHHHHHH--HHHH---    HHHHHHHHHHH--                 ----HHHHHHH-------

            ---HHHHHHHHHHH---HHHHHHHHHHHHHHHHHHHHHHH-----EEEEEE--      -EEEEEEEEE E-EEEEEEEE
Query:  108 DANKIVLPYVLEHIKNNKVRQKLLAFHAWLLGEVVEMNEALGADFRVKLVFES------DMRIRLRVYE-VEQIAIEVHF  180
Sbjct:   88 --------------ATPEQQQQIQDGFKSLLIRTYAGALANVRNQTVAYKPFRAAADDTDVVVRSTVNNNGEPVALDYRV  153
                          --HHHHHHHHHHHHHHHHHHHHHHHH-----EEEE----------EEEEEEEEEE--EEEEEEEEE

            E------------EEEE-----HHHHHHHH---------HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH
Query:  181 LDNHDTEQQHLGYDVSLDADFTEKARLLLRQGILTENLGLEALKAYMKSVLPIAHSLKNLEHLTFEETKKLTK  253
Sbjct:  154 EKSPNG---WKVYDINISG-----------------LWLSETYKNQFADVISKRGGVGGLVQFLDERNAQLAK  206
            EEE--E   EEEEEEEE--                 EEHHHHHHHHHHHHHHHH--HHHHHHHHHHHHHHHH-

178 residues (63.12%) 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: 37.55% helical, 29.37% extended, 33.09% loops/other (query: 52.48% 11.70% 35.82%) SCOP classification: [Multi-domain proteins (alpha and beta)]/[Subunits of heterodimeric actin filament capping protein Capz] 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. 1IZN_A e.43.1.1 3.2.2.1 NONE -999.000 0 1 95.04% 8.09% OPTM -583.609 -334.440 1.631 0.443 0.352 0.657 0.664 12.990 -42.5 1.060 52.500 -95.5 0.030 21.500 -118.5 0.360 -4.270 -34.7 1.440 0.600 -48.4 0.130 -4.880 -6.4 1.670 3.000 -30.0 7.870 30.960 -69.3 14.020 26.620 -78.3 -30.000 50.000 -152.0 -30.000 48.000 -153.0 0.630 16.000 -5.0 0.440 6.000 -64.0 4.030 8.000 -53.0 3.580 -5.000 -94.0 5.000 0.7 0.403 -19.5 174.000 336.0 5.000 0.7 0.886 1.0 0.81 0.35 alignment source: OPTM +++ there is a problem with all-atom model, click here for details ---HHHHHHHHHHHH-------------HHHHHHHHHHHHHHHHH HHHHHH------HHHHHHHHHHHHHH------- Query: 1 MNETEKLVAALLERNFGKNIGTRYPGNEAAQMRAEEVIGEIAIVI--APLVEKLGIENKTVKKTIPFLYELQKNQFCDMS 78 Sbjct: 7 RVSDEEKVRIAAKFITHAPPGE-----------FNEVFNDVRLLLNNDNLLRE-------GAAHAFAQYNMDQFTPVKIE 68 ---HHHHHHHHHHHHH------ HHHHHHHHHHHH--HHHHHH HHHHHHHHHHHH--EEE--- -----EEEE----- -HHHHHHH----------HHHHHHHHHHH---HHHHHHHHHHHHHHHHHH Query: 79 AYPYPLLLVNGTST----------------DTEKYWRDLPTYWTDDANKIVLPYVLEHIKNNKVRQKLLAFHAWLLGEVV 142 Sbjct: 69 GYDDQVLITEHGDLGNGRFLDPRNKISFKFDHLR--KEASDPQPEDT------------ESA-----LKQWRDACDSALR 129 -----EEE---------EEE-----EEEE----- ------EE--- --- -HHHHHHHHHHHH HHHHH-----EEEEEE--- EEEEEEEEEE- EEEEEEEEE------------EE Query: 143 EMNEALGADFRVKLVFESD------------------------MRIRLRVYEVE---QIAIEVHFLDNHDTEQQHLGYDV 195 Sbjct: 130 AYVKDHYPNGFCTVYGKSIDGQQTIIACIESHQFQPKNFWNGRWRSEWKFTITPPTAQVAAVLKIQVHYYEDG---NVQL 206 HHHHHH---EEEEEEEEEE--EEEEEEEEEEEEEE----EEEEEEEEEEEE----EEEEEEEEEEEEEE---- -EEE EE-----HHHHHHHH---------HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH-----------HHHH Query: 196 SLDADFTEKARLLLRQGILTENLGLEALKAYMKSVLPIAHSLKNLEHLTFEETKKLTKLLTQEEPKIMEDTDLTSKA 272 Sbjct: 207 VSHKDI---------QDSVQVSSDVQTAKEFIKIIENAENEYQTAISENYQTMSDTTFKALRRQLPVTRTKIDWNKI 274 EEEEEE EEEEE----HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH-HHHHH------------HHHH 268 residues (95.04%) 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: 39.73% helical, 16.10% extended, 44.18% loops/other (query: 52.48% 11.70% 35.82%) 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. 2F4M_A not_found 84.84.84.84 NONE -999.000 0 1 93.62% 9.47% OPTM -494.008 -313.900 1.623 0.410 0.421 0.711 0.786 5.020 -37.0 0.660 39.000 -35.5 -1.140 -7.000 -72.0 0.280 -5.220 -34.3 0.600 -0.270 -46.9 -0.110 -4.330 1.9 0.060 2.040 -24.6 7.520 17.090 -71.5 7.700 7.200 -73.5 -30.000 40.000 -179.0 -30.000 37.000 -185.0 2.170 36.000 11.0 1.320 12.000 -61.0 1.970 -2.000 -70.0 3.780 5.000 -104.0 5.000 0.2 -0.381 -22.3 0.000 -9.3e+061 5.000 0.2 1.255 0.6 0.59 0.66 alignment source: OPTM +++ there is a problem with all-atom model, click here for details HHHHHHHHHHHH-------------HHHHHHHHH HHHHHHHHHHHHHH------ HHHHHHHHHHHHHH- Query: 4 TEKLVAALLERNFGKNIGTRYPGNEAAQMRAEEV--IGEIAIVIAPLVEKLGIENK------TVKKTIPFLYELQKN--- 72 Sbjct: 169 LKVLQSNIQHVQLYE--------NPVLQEKALTCIPVSELKRKAQEKLFRARKLDKGTNVSDEDFLLLELLHWFKEEFFR 240 HHHHHHHHHHH---- HHHHHHHHHH--HHHHHHHHHHHHHHH-----------HHHHHHHHHHHHHH---EE -----------EEEE------HHHHHHH--- -------HHHHHHHHHHH---HHHHHHHHHHHH Query: 73 --QFCDMSAYPYPLLLVNGTSTDTEKYWRDLPT--------------YWTDDANKIVLPYVLEHIKNNKVRQKLLAFHAW 136 Sbjct: 241 WVNNIVCSKCGGETRSRDEALLPNDDELKWGAKNVENHYCDACQLSNRFPRYNN----PEKLLETRCGRCGEWANCFTLC 316 -------------EE---------HHHH-----EEEEEE----EEEEEE----H HHHHHH-EE-HHHHHHHHHHHH HHHHHHHHHHH-----EEEEEE---EEEEEEEEEE-EEEEEEEEE------ ------EEEE--- Query: 137 LLGEVVEMNEALGADFRVKLVFESDMRIRLRVYEVEQIAIEVHFLDNHDTE--------QQHLGYDVSLDAD-------- 200 Sbjct: 317 CRAL--------GFE-ARYVWDYTDHVWTEVYSPSQQRWLHCDACEDVCDKPLLYEIGWGKKLSYIIAFSKDEVVDVTWR 387 HH-- --E EEEEE---EEEEEEEE----EEEEEE----EE----------------EEEE----EEE----- --HHHHHHHH---------HHHHHHHHHHHHHHHH HHHHHHHHHHHHHHHHHHHHHH---------- Query: 201 -FTEKARLLLRQGILTENLGLEALKAYMKSVLPIAH---SLKNLEHLTFEETKKLTKLLTQEEPKIMEDTD 267 Sbjct: 388 YSCKHDEVMSRRT----KVKEELLRETINGLNKQRQLSLSESRRKELLQRIIVELVEFISPKTPRPGLEHH 454 ---HHHHHHH--- --HHHHHHHHHHHHHHHH----HHHHHHHHHHHHHHHHHH-------------- 264 residues (93.62%) 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: 43.13% helical, 15.00% extended, 41.88% loops/other (query: 52.48% 11.70% 35.82%) SCOP classification: [Alpha and beta proteins (a+b)]/[Protein kinase-like (PK-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. d.144.1.4.1_A d.144.1.4 31.1.1.1 NONE -999.000 0 1 97.87% 10.14% OPTM -687.033 -348.560 1.585 0.451 0.614 0.538 0.693 3.360 -46.7 0.830 24.000 18.0 0.430 0.500 -119.0 -0.130 -2.040 153.2 0.740 -1.980 -51.0 -0.140 1.800 188.3 2.530 2.640 -36.5 1.270 -5.920 84.3 7.200 -1.130 -73.2 -30.000 12.000 -131.0 -30.000 11.000 -155.0 1.550 44.000 97.0 0.450 4.000 -66.0 4.560 9.000 -49.0 2.890 -2.000 -120.0 5.000 0.0 -1.104 -19.1 -129.000 518.0 5.000 0.0 -0.056 1.0 0.67 0.75 alignment source: OPTM +++ there is a problem with all-atom model, click here for details HHHHHHHHHHHH- ------------HHHHHHHHHHHHHHHHHHHHHH H-- ---- Query: 4 TEKLVAALLERNF--GKNIGTRYPGNEAAQMRAEEVIGEIAIVIAPLVE-KLG-----------------------IENK 57 Sbjct: 734 QQVQVIDMLQKVTIDIKSLSAEKYDVS------SQVISQLKQKLENLQNLNLPQSFRVPYDPGLKAGALVIEKCKVMASK 807 HHHHHHHHHHHHHH------------H HHHHHHHHHHHHHHH------EEE--EEEEEEEEE-----EE----- HHHHHHHHHHHHHH----------- -EEEE---- -- Query: 58 -----------------------------------TVKKTIPFLYELQKNQFCDMSAYPY-------PLLLVNGTS--TD 93 Sbjct: 808 KKPLWLEFKCADPTALSNETIGIIFKHGDDLRQDMLILQILRIMESIWETESLDLCLLPYGCISTGDKIGMIEIVKDATT 887 --EEEEEEE----------EEEEEEE----HHHHHHHHHHHHHHHHHHH-----------EEEEE--EEEEE----EEEH HHHHHHH----------HHHHHHHHHHH---HHHHHHHHHHHHHHHHHHHHHHH-----EEEEEE---EEEEEEEEEE-E Query: 94 TEKYWRDLPTYWTDDANKIVLPYVLEHIKNNKVRQKLLAFHAWLLGEVVEMNEALGADFRVKLVFESDMRIRLRVYEVEQ 173 Sbjct: 888 IAKIQQSTVGNTGAFKDEVLSHWLKEKCPIEEKFQAAVERFVYSCAGYCVATFVLGIGDR----HNDNIMISETG----- 958 HHHHHHH----------HHHHHHHHH---HHHHHHHHHHHHHHHHHHHHHHHH------- ---EEEE---- EEEEEEEE------------EEEE-----HHHHHHHH---------HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH Query: 174 IAIEVHFLDNHDTEQQHLGYDVSLDADFTEKARLLLRQGILTENLGLEALKAYMKSVLPIAHSLKNLEHLTFEETKKLTK 253 Sbjct: 959 ---NLFHIDFGHINKERVPFVLT--------PDFLFVMGTSGKKTSL-HFQKFQDVCVKAYLALRHH---TNLLIILFSM 1023 EEE----------------H HHHHH---------HH HHHHHHHHHHHHHHHH--H HHHHHHHHHH HHHH-----------HHHHHHHHHHH Query: 254 LLTQEEPKIMEDTDLTSKALDFLQKA 279 Sbjct: 1024 MLMTGMPQLTS-----KEDIEYIRDA 1044 HHH-------H HHHHHHHHH- 276 residues (97.87%) 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: 47.17% helical, 8.18% extended, 44.65% loops/other (query: 52.48% 11.70% 35.82%) SCOP classification: [Alpha and beta proteins (a/b)]/[Adenine nucleotide alpha hydrolase-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. 1JII_A c.26.1.1 23.1.1.1 NONE -999.000 0 1 99.65% 13.17% OPTM -635.795 -420.700 1.582 0.453 0.512 0.692 0.777 16.120 -45.7 -0.270 -25.500 -15.5 0.890 -18.000 -120.5 1.370 3.180 -5.7 1.130 0.280 -58.7 0.190 -3.350 38.7 0.300 -2.050 -31.7 1.620 -2.510 -17.9 6.400 16.020 -79.9 -30.000 19.000 -146.0 -30.000 23.000 -160.0 2.470 38.000 54.0 0.900 20.000 -62.0 2.560 3.000 -91.0 3.830 22.000 -127.0 5.000 0.4 -1.815 -17.6 0.000 -9.3e+061 5.000 0.6 -0.569 0.4 0.74 0.82 alignment source: OPTM --HHHHHHHHHHHH-------------HHHHHHHHHHHHHHHHHHHHHHH-- -- Query: 2 NETEKLVAALLERNFGKNIGTRYPGNEAAQMRAEEVIGEIAIVIAPLVEKLG--------------------------IE 55 Sbjct: 18 QTDEQGIEDLLNKEQVTLYCGADPTAD-----SLHIGHLLPFLTLRRFQEHGHRPIVLIGGGTGMIGDPSGKSEERVLQT 92 --HHHHHHHHHH---EEEEEE------ --HHHHHHHHHHHHHHHH--EEEEEE---------------------H --HHHHHHHHHHHHHH------------EEEE-- ----HHHHHHH------ ----HHHHHHHHHHH---H Query: 56 NKTVKKTIPFLYELQKNQFCDMSAYPYPLLLVNG----TSTDTEKYWRDLPTYWT------DDANKIVLPYVLEHIKNNK 125 Sbjct: 93 EEQVDKNIEGISKQMHNIFE--FGTDHGAVLVNNRDWLGQISLISFLRDYGKHVGVNYMLGKDS----IQSRLEHGIS-- 164 HHHHHHHHHHHHHHHHH--- ------EEEE-HHHH----HHHHHHH------HHHH-----H HHHHHH---H HHHHHHHHHHHHHHHHHHHHHH-----EEEEEE-- -EEEEEEEEEE-EEEEEEEEE------- Query: 126 VRQKLLAFHAWLLGEVVEMNEALGADFRVKLVFES----------------DMRIRLRVYEVEQIAIEVHFLDNHDTEQ- 188 Sbjct: 165 --YTEFTYTILQAIDFGHLNREL--NCKIQVGGSDQWGNITSGIELMRRMYG--------QTDAYGLTIPLVTKSDGKKF 232 HHHHHHHHHHHHHHHHHHH-- --EEEEE---HHHHHHHHHHHHHH--- ---EEEEE------------ -----EEEE----- HHHHHHHH---------HHHHHHH HHHHHHHHHHHHHHHH HHHHHHHHHHHHHHH- Query: 189 -QHLGYDVSLDADFT--EKARLLLRQGILTENLGLEALKAY----MKSVLPIAHSLKNLEH---LTFEETKKLTKLLTQE 258 Sbjct: 233 GKSESGAVWLDAEKTSPYEFYQFWINQ--SDEDVIKFLKYFTFLGKEEIDRLEQSKNEAPHLREAQKTLAEEVTKFIHGE 310 ---------------HHHHHHHHH--- ----HHHHHHH----HHHHHHHHHHHHH------HHHHHHHHHHHHHH--H ----------HHHHHHHHHHHH-- Query: 259 EPKIMEDTDLTSKALDFLQKAAQQ 282 Sbjct: 311 ---------------DALNDAIRI 319 HHHHHH--- 281 residues (99.65%) of query sequence aligned
DONE: Sun Aug 10 00:30:37 2008 EST