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:Sun Aug 17 11:55:34 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 T0443
    --> 248 residues, sequence name: T0443
   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 1 22 17 0 0 0 0 0 4
RESULTS secondary structure prediction shows 54.84% helical, 5.24% extended and 39.92% loops/other homologs/domains used: 0 query sequence T0443 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 1NOG_A a.25.2.2 147.8.2.2 NONE -65.700 0 1 46.77% 10.57% OPTM -257.224 -135.120 0.112 0.457 0.333 0.585 0.696 -0.060 -25.5 -0.220 -18.000 174.5 0.930 -20.500 -79.5 -1.050 -3.280 81.2 1.380 4.450 -39.6 -0.570 -0.670 120.7 1.960 5.960 -29.4 0.870 -0.540 69.6 3.260 2.920 -50.8 -30.000 7.000 -41.0 -30.000 6.000 -101.0 0.510 -33.000 171.0 0.900 -16.000 -49.0 -0.990 0.000 133.0 0.950 8.000 -71.0 5.000 -999.0 1.647 -17.6 -44.000 247.0 5.000 -0.3 5.000 5.0 0.73 0.88 2 1EKU_A a.26.1.3 147.9.9.7 NONE -999.000 0 1 88.31% 11.42% OPTM -507.952 -287.880 1.508 0.465 0.265 0.661 0.749 -0.330 -37.1 2.500 59.000 -97.5 1.370 17.000 -115.5 0.710 -2.770 -33.6 -0.140 -0.640 -40.8 1.330 3.980 -13.7 0.650 -0.020 -26.9 5.210 7.090 -80.7 6.350 6.810 -83.3 -30.000 11.000 -160.0 -30.000 8.000 -161.0 0.970 26.000 14.0 -0.570 -11.000 -42.0 3.010 15.000 -93.0 2.500 2.000 -104.0 5.000 1.5 -1.339 -9.4 0.000 -9.3e+061 5.000 0.7 -0.018 0.6 0.87 0.69 3 2DB0_A not_found 143.143.143.143 NONE -999.000 0 1 80.24% 6.82% OPTM -524.067 -392.010 1.343 0.467 0.470 0.750 0.813 10.680 -40.2 3.350 36.500 -83.5 3.140 19.500 -117.5 0.310 1.760 -27.9 2.240 5.190 -51.9 0.370 2.990 -0.3 0.990 1.370 -31.8 1.730 2.790 -59.1 6.080 10.300 -82.8 -30.000 -7.000 -130.0 -30.000 15.000 -157.0 0.870 -22.000 20.0 -1.590 -16.000 -34.0 -0.110 -12.000 -75.0 1.890 13.000 -118.0 5.000 0.2 0.303 -14.3 0.000 -9.3e+061 5.000 0.3 0.544 1.1 0.78 0.69 4 1KU1_A a.118.3.1 147.19.1.1 NONE -999.000 0 1 83.06% 11.89% OPTM -491.133 -320.240 1.284 0.406 0.230 0.789 0.846 6.210 -33.0 0.900 12.500 -37.0 0.720 -0.500 -105.5 2.080 4.490 -9.5 0.900 -0.130 -44.2 1.110 5.910 22.1 0.210 -2.780 -29.3 3.530 7.580 -30.8 6.860 15.250 -74.5 -30.000 -5.000 -110.0 -30.000 7.000 -137.0 1.800 33.000 3.0 0.500 7.000 -56.0 0.610 -11.000 -8.0 4.050 24.000 -100.0 5.000 -0.2 1.063 -20.2 9.000 345.0 5.000 -0.2 -0.201 -0.3 0.76 0.89 5 a.222.1.1.1_A a.222.1.1 147.1.1.1 NONE -999.000 0 1 83.87% 10.96% OPTM -459.766 -236.320 1.279 0.450 0.387 0.675 0.761 5.840 -38.8 0.930 18.000 -62.5 1.380 21.500 -115.5 2.160 8.010 -43.1 1.730 4.130 -52.2 2.330 6.730 -21.0 2.000 8.760 -36.0 1.620 4.820 -66.0 3.030 4.120 -74.8 -30.000 7.000 -140.0 -30.000 3.000 -148.0 1.950 69.000 -30.0 0.090 5.000 -60.0 0.890 -3.000 -97.0 0.550 -4.000 -114.0 5.000 -0.9 -1.579 -19.9 0.000 -9.3e+061 5.000 -0.9 0.763 0.4 0.61 0.85 RMSD table between hits (RMSDs are shaded according to similarity, up to 10Å )

1

2

3

4

5

1

0.00

16.59

15.93

18.58

21.99

2

16.59

0.00

16.11

19.98

20.92

3

15.93

16.11

0.00

17.88

18.89

4

18.58

19.98

17.88

0.00

19.35

5

21.99

20.92

18.89

19.35

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

16.26

17.07

16.26

20.33

2

16.26

100.00

12.84

9.13

10.65

3

17.07

12.84

100.00

10.91

9.63

4

16.26

9.13

10.91

100.00

14.16

5

20.33

10.65

9.63

14.16

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

32.52

39.02

32.52

34.96

2

32.52

100.00

25.23

24.66

18.98

3

39.02

25.23

100.00

29.55

18.81

4

32.52

24.66

29.55

100.00

21.92

5

34.96

18.98

18.81

21.92

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: 54.05% helical,  0.00% extended, 45.95% loops/other (query: 54.84%  5.24% 39.92%)

  SCOP classification:  [All alpha proteins]/[Ferritin-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.
1NOG_A               a.25.2.2      147.8.2.2              NONE   -65.700     0       1  46.77%  10.57%   OPTM     -257.224     -135.120        0.112        0.457        0.333        0.585        0.696     -0.060     -25.5    -0.220   -18.000     174.5     0.930   -20.500     -79.5    -1.050    -3.280      81.2     1.380     4.450     -39.6    -0.570    -0.670     120.7     1.960     5.960     -29.4     0.870    -0.540      69.6     3.260     2.920     -50.8   -30.000     7.000     -41.0   -30.000     6.000    -101.0     0.510   -33.000     171.0     0.900   -16.000     -49.0    -0.990     0.000     133.0     0.950     8.000     -71.0     5.000    -999.0     1.647     -17.6   -44.000     247.0     5.000      -0.3     5.000       5.0    0.73  0.88

alignment source: OPTM
 +++ there is a problem with all-atom model, click here for details
            HHHHHHHHHHHHHHH---------HHHHHHHHHHHHHHHHHHHHH--         HHHHHH--HHHHHHHHHHHHHH--
Query:    4 ETSAQYQHRFSQAIRGGEAADGLPQDRLNVYIRLIRNNIHSFIDRCY---------TETRQYFDSKEWSRLKEGFVRDAR   74
Sbjct:   56 FRIQNDLFVLGEDVSTGGKGRTVTREMIDYLEARVKE-MKAEIGKIELFVVPGGSVESASLHMARAVSRRLERRIVAASK  134
            HHHHHHHHHHHHHH---------HHHHHHHHHHHHHH HHHH------------HHHHHHHHHHHHHHHHHHHHHHHH--

            ---HHHHHHHHHHHHHHH-----HHHHHHHHHHHHHHHHHHH----------
Query:   75 AQTPYFQEIPGEFLQYCQSPPLSDGILALMDFEYTQLLAEVAQIPDIPDIHY  126
Sbjct:  135 LT-----EINKNVLIYAN---------RLSSILFMHALISNKRLN-IPEKIW  171
            --     --HHHHHHHHH         HHHHHHHHHHHHHHH--- -----W

116 residues (46.77%) 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: 65.04% helical, 0.00% extended, 34.96% loops/other (query: 54.84% 5.24% 39.92%) SCOP classification: [All alpha proteins]/[4-helical cytokines] 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. 1EKU_A a.26.1.3 147.9.9.7 NONE -999.000 0 1 88.31% 11.42% OPTM -507.952 -287.880 1.508 0.465 0.265 0.661 0.749 -0.330 -37.1 2.500 59.000 -97.5 1.370 17.000 -115.5 0.710 -2.770 -33.6 -0.140 -0.640 -40.8 1.330 3.980 -13.7 0.650 -0.020 -26.9 5.210 7.090 -80.7 6.350 6.810 -83.3 -30.000 11.000 -160.0 -30.000 8.000 -161.0 0.970 26.000 14.0 -0.570 -11.000 -42.0 3.010 15.000 -93.0 2.500 2.000 -104.0 5.000 1.5 -1.339 -9.4 0.000 -9.3e+061 5.000 0.7 -0.018 0.6 0.87 0.69 alignment source: OPTM +++ there is a problem with all-atom model, click here for details ---HHHHHHHHHHHHHHH-- -------HHHHH HHHHHHHHHHHHHHHH--HHHHHH-- HHHHHHHH Query: 1 MQPETSAQYQHRFSQAIRGG----EAADGLPQDRLN-----VYIRLIRNNIHSFIDRCYTETRQYFD-----SKEWSRLK 66 Sbjct: 2 MQDP-YVKEAENLKKYFNAGHSDVADNGTLFLGILKNWKEESDRKIMQSQIVSFYFK----LFKNFKDDQSIQKSVETIK 76 ---- HHHHHHHHHHH---------------HHHHH----HHHHHHHHHHHHHHHHH HHH-----HHHHHHHHHHH HHHHHH-----HHHHHHHHHHHHHHH-----HHHHHHHHHHHHHHHHHHH-------------------HHHHHHH---- Query: 67 EGFVRDARAQTPYFQEIPGEFLQYCQSPPLSDGILALMDFEYTQLLAEVAQIPDIPDIHYSNDSKYTPSPAAFIRQYRYD 146 Sbjct: 77 EDMNVKFFNSN----KKKRDDFEKLTNYSVTD--LNVQRKAIDELIQVMAEFST----EEQQEGPY-VKEAENLKKYFNA 145 HHHHHHHH--- HHHHHHHHHHH------ HHHHHHHHHHHHHHHH---- -------- HHHHHHHHHH--- ----------EEEEEE-----EEEEH- -HHHHHHHHHHH----- HHHHHHHHHHHH Query: 147 VTHDLQEAETALLIWRNAEDDVMYQTL------------------DGFDMMLLEIMGSSALS------FDTLAQTLVEFM 202 Sbjct: 146 GHSDVADNG----------------TLFLGILKNWKEESDRKIMQSQIVSFYFKLFKNFKDDQSIQKSVETIKEDMNVKF 209 --------- ---HHHHH----HHHHHHHHHHHHHHHHHHHH-----HHHHHHHHHHHHHHHHHH H----HHHHHHHHHHHH Query: 203 PKADNWKNILLGKWSGW 219 Sbjct: 210 FNSNKKKRDDFEKLTNY 226 H---HHHHHHHHHHH-- 219 residues (88.31%) 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: 65.11% helical, 0.00% extended, 34.89% loops/other (query: 54.84% 5.24% 39.92%) 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. 2DB0_A not_found 143.143.143.143 NONE -999.000 0 1 80.24% 6.82% OPTM -524.067 -392.010 1.343 0.467 0.470 0.750 0.813 10.680 -40.2 3.350 36.500 -83.5 3.140 19.500 -117.5 0.310 1.760 -27.9 2.240 5.190 -51.9 0.370 2.990 -0.3 0.990 1.370 -31.8 1.730 2.790 -59.1 6.080 10.300 -82.8 -30.000 -7.000 -130.0 -30.000 15.000 -157.0 0.870 -22.000 20.0 -1.590 -16.000 -34.0 -0.110 -12.000 -75.0 1.890 13.000 -118.0 5.000 0.2 0.303 -14.3 0.000 -9.3e+061 5.000 0.3 0.544 1.1 0.78 0.69 alignment source: OPTM --HHHHHHHHHHHHHHH---------HHHHHHHHHHHHH HHHHHHHH--HHHHHH--HHHHHHHHHHHHHH----- Query: 2 QPETSAQYQHRFSQAIRGGEAADGLPQDRLNVYIRLIRN----NIHSFIDRCYTETRQYFDSKEWSRLKEGFVRDARAQT 77 Sbjct: 44 DLWTVVKNAISIIMVIAKT--REDLYEPMLKKLFSLLKKSEAIPLTQEIAKAFGQMAKEK-PELVKSMIPVLFANYRIGD 120 -HHHHHHHHHHHHHHH--- ---HHHHHHHHHHHHHH---HHHHHHHHHHHHHHHHH-H HHHHHHHHHHHHH-----H HHHHHHHHHHHHHHH--- --HHHHHHH HHHHHHHHHHHH-------------------HHHHHHH----- Query: 78 -PYFQEIPGEFLQYCQSPP-----LSDGILALM----DFEYTQLLAEVAQIPDIPDIHYSNDSKYTPSPAAFIRQYRYDV 147 Sbjct: 121 EKTKINVSYALEEIAKANPMLMASIVRDFMSMLSSKNREDKLTALNFIEAMGE--------------NSFKYVNPFLPRI 186 HHHHHHHHHHHHHHHH-HHHHHHHHHHHHHH-----HHHHHHHHHHHH----- -HHHH---HHHHH ---------EEEEEE-----EEEEH--HHHHHHHHHHH-----HHHHHHHHHHHHH----HHHHHHHHHHHHHH Query: 148 THDLQEAETALLIWRNAEDDVMYQTLDGFDMMLLEIMGSSALSFDTLAQTLVEFMPKADNWKNILLGKWSGWIE 221 Sbjct: 187 INLLHDGD------------------EIVRASAVEALVHLATLNDKLRKVVIKRLEELNDTSSLVNKTVKEGIS 242 -------H HHHHHHHHHHHHHH---HHHHHHHHHHHHH-----HHHHHHHHHHHHH 199 residues (80.24%) 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: 55.24% helical, 0.00% extended, 44.76% loops/other (query: 54.84% 5.24% 39.92%) SCOP classification: [All alpha proteins]/[alpha-alpha superhelix] 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. 1KU1_A a.118.3.1 147.19.1.1 NONE -999.000 0 1 83.06% 11.89% OPTM -491.133 -320.240 1.284 0.406 0.230 0.789 0.846 6.210 -33.0 0.900 12.500 -37.0 0.720 -0.500 -105.5 2.080 4.490 -9.5 0.900 -0.130 -44.2 1.110 5.910 22.1 0.210 -2.780 -29.3 3.530 7.580 -30.8 6.860 15.250 -74.5 -30.000 -5.000 -110.0 -30.000 7.000 -137.0 1.800 33.000 3.0 0.500 7.000 -56.0 0.610 -11.000 -8.0 4.050 24.000 -100.0 5.000 -0.2 1.063 -20.2 9.000 345.0 5.000 -0.2 -0.201 -0.3 0.76 0.89 alignment source: OPTM +++ there is a problem with all-atom model, click here for details ---HHHHHHHHHHHHHHH---------HHHHHHHHH HHHHHHHHHHHH-- HHHHHH--HHHHHHHHHH Query: 1 MQPETSAQYQHRFSQAIRGGEAADGLPQDRLNVYIR------LIRNNIHSFIDRCY------TETRQYFDSKEWSRLKEG 68 Sbjct: 572 GSHMDRKTEFIECTNAFNEK------PKKGIPMLIEKGFIASDSDKDIAEFLFNNNNRMNKKTIGLLLCHPDK-VSLLNE 644 --HHHHHHHHHHHHHHHH-H HHHHHHHHH--------HHHHHHHHHH------HHHHHHHH-----H HHHHHH HHHH-----HHHHHHHHHHHHHHH-----HHHHHHHHHHHHHHHHHHH---- --------------- HHHHHHH--- Query: 69 FVRDARAQTPYFQEIPGEFLQYCQSPPLSDGILALMDFEYTQLLAEVAQIPD-IPDIHYSNDSKYTPS--PAAFIRQYRY 145 Sbjct: 645 YIRLFDFSGLRVDEAIRILLTKFRLPGESQQIERIIEAFSSAYCENQDYDPSKISDNAEDDISTVQPDADSVFILSYSII 724 HH--------HHHHHHHH---------HHHHHHHHHHHHHHHHH-----------------------HHHHHHHHHHHHH -----------EEEEEE-----EEEEH--HHHHHHHHHHH-----HHHHHHHHHHHHH----HHHHHHHHHHHHHH--EE Query: 146 DVTHDLQEAETALLIWRNAEDDVMYQTLDGFDMMLLEIMGSSALSFDTLAQTLVEFMPKADNWKNILLGKWSGWIEQRII 225 Sbjct: 725 MLNTDLHNPQ--------VKE---------------------HMSFEDYSGNLKGCCNHKDFPFWYLDRVYCSIRDKEIV 775 HHHHH----- --- --HHHHHHH-----------HHHHHHHHHHHHH----- E- Query: 226 IP 227 Sbjct: 776 MP 777 -P 206 residues (83.06%) 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: 57.26% helical, 0.00% extended, 42.74% loops/other (query: 54.84% 5.24% 39.92%) SCOP classification: [All alpha proteins]/[VPS9 domain] 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. a.222.1.1.1_A a.222.1.1 147.1.1.1 NONE -999.000 0 1 83.87% 10.96% OPTM -459.766 -236.320 1.279 0.450 0.387 0.675 0.761 5.840 -38.8 0.930 18.000 -62.5 1.380 21.500 -115.5 2.160 8.010 -43.1 1.730 4.130 -52.2 2.330 6.730 -21.0 2.000 8.760 -36.0 1.620 4.820 -66.0 3.030 4.120 -74.8 -30.000 7.000 -140.0 -30.000 3.000 -148.0 1.950 69.000 -30.0 0.090 5.000 -60.0 0.890 -3.000 -97.0 0.550 -4.000 -114.0 5.000 -0.9 -1.579 -19.9 0.000 -9.3e+061 5.000 -0.9 0.763 0.4 0.61 0.85 alignment source: OPTM HHHHHHHHHHHHHHH---------HHHHHHHHHHHHHHHHHHHHH --HHHHHH--HHHHHHHHHHHHHH-- Query: 4 ETSAQYQHRFSQAIRGGEAADGLPQDRLNVYIRLIRNNIHSFIDR---CYTETRQYFDSKEWSRLKEGFVRDAR------ 74 Sbjct: 180 ECAQDFYHNVAERMQTR---GKVPPERVEKIMDQIEKYIMTRLYKYVFCP----ETTDDEKKDLAIQKRIRALRWVTPQM 252 HHHHHHHHHHHHHH--- ---HHHHHHHHHHHHHHHHHHHHHHH---- ---HHHHHHHHHHHHHH--------- ---HHHHHHHHHHHHHHH- ----HHHHHHHHHHHHHHHHHHH-------------------HHHHHHH--- Query: 75 ------AQTPYFQEIPGEFLQYCQS---PPLSDGILALMDFEYTQLLAEVAQIPDIPDIHYSNDSKYTPSPAAFIRQYRY 145 Sbjct: 253 LCVPVNEDIPEVSDMVVKAITDIIEMDSKRVPRDKLACITKCSKHIFNAIKITKNEP----ASADDFLPTLIYIVLKGNP 328 --------HHHHHHHHHHHHHHHH------HHHHHHHHHHHHHHHHHHHHHHH---- -HHHHHHHHHHHHHHH--- -----------EEEEEE-----EEEEH--HHHHHHHHHHH----- HHHHHHHHHHHHH--- -HHHHHHHHHHH Query: 146 DVTHDLQEAETALLIWRNAEDDVMYQTLDGFDMMLLEIMGSSALS------FDTLAQTLVEFMPKAD-NWKNILLGKWSG 218 Sbjct: 329 PR-------------------------LQSNIQYITRFCNPSRLMTGEDGYYFTNLCCAVAFIEKLDAQSLNLSQEDFDR 383 -H HHHHHHHHHH---------HHHHHHHHHHHHHHHHHH---------HHHHHHH HHH- Query: 219 WIEQ 222 Sbjct: 384 YMSG 387 H--G 208 residues (83.87%) of query sequence aligned
DONE: Sun Aug 17 19:10:03 2008 EST