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:Mon Aug 11 02:38:44 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 T0413
    --> 304 residues, sequence name: T0413
   Database: T:\CBSU\blastdb\20080108\nr


 -> 1 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 15 6 0 0 0 1 1 2
5 dynamic database entries created: 1MX1_A 1YA4_A 2DQY_A 2OGT_A 2OGS_A WARNING: 12 non-fatal errors encountered, please check the log file above RESULTS secondary structure prediction shows 30.92% helical, 14.47% extended and 54.61% loops/other homologs/domains used: 0 query sequence T0413 all homologs found total number of entries processed: 305 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 1UXO_A c.69.1.31 204.58.58.1 NONE -80.105 0 1 59.87% 13.85% OPTM -525.475 -465.610 0.865 0.522 0.527 0.729 0.911 19.740 -45.0 1.940 13.000 140.0 2.170 20.000 -111.5 0.190 0.270 80.1 -0.140 -6.750 -35.9 0.750 -0.510 125.1 -0.790 -3.040 -18.2 6.060 5.000 71.2 6.850 3.320 -54.4 -30.000 25.000 -47.0 -30.000 8.000 -113.0 2.660 46.000 160.0 2.430 25.000 -71.0 0.230 1.000 154.0 7.130 22.000 -111.0 5.000 -0.5 0.521 -16.8 58.000 307.0 5.000 -0.4 1.322 -0.7 0.28 0.87 2 2R8B_A not_found 72.72.72.72 NONE -80.133 0 1 65.79% 15.63% OPTM -367.866 -518.630 1.187 0.523 0.436 0.764 0.974 25.690 -50.8 1.110 48.000 120.5 -0.110 -4.500 -87.0 0.780 8.410 68.4 0.150 -1.750 -43.0 0.940 4.910 117.7 0.390 -0.310 -25.8 2.300 -3.910 73.8 9.210 6.410 -59.2 -30.000 29.000 -79.0 -30.000 24.000 -135.0 3.640 84.000 102.0 4.730 40.000 -88.0 3.480 29.000 67.0 6.220 28.000 -134.0 5.000 -1.5 1.557 -20.3 0.000 -9.3e+061 5.000 -1.6 -0.538 0.4 0.23 0.83 3 2QJW_A not_found 72.72.72.72 NONE -80.170 0 1 56.58% 17.45% OPTM -396.751 -414.530 0.305 0.452 0.416 0.695 0.936 17.810 -41.6 0.440 25.000 212.5 -0.850 -13.000 -79.5 -1.220 -11.330 109.0 0.400 2.120 -53.7 -0.630 -13.470 158.9 -1.100 -1.710 -32.3 3.490 -6.970 102.1 4.140 -3.300 -52.4 -30.000 25.000 -34.0 -30.000 5.000 -116.0 3.340 62.000 189.0 2.070 20.000 -63.0 -0.820 2.000 200.0 2.960 17.000 -85.0 5.000 -0.7 0.420 -17.0 0.000 -9.3e+061 5.000 -0.7 -0.125 0.1 0.33 0.83 4 2O2G_A not_found 72.72.72.72 NONE -80.208 0 1 70.39% 12.69% OPTM -439.788 -573.390 1.005 0.530 0.481 0.752 0.938 25.880 -50.4 -0.090 -19.000 98.0 -0.320 -1.500 -87.0 0.850 6.260 38.6 0.050 -0.580 -42.2 1.000 10.030 82.3 -0.370 -0.560 -23.7 8.760 31.170 18.6 10.990 10.960 -69.8 -30.000 36.000 -94.0 -30.000 25.000 -143.0 2.010 24.000 92.0 1.370 19.000 -59.0 0.800 3.000 44.0 3.000 14.000 -116.0 5.000 -1.1 -0.734 -16.6 0.000 -9.3e+061 5.000 -1.1 0.681 -0.2 0.09 0.72 5 2FUK_A not_found 72.72.72.72 NONE -80.209 0 1 70.72% 13.92% OPTM -494.398 -578.330 1.036 0.558 0.487 0.748 0.934 24.130 -52.7 1.810 49.000 41.5 1.490 24.000 -115.0 -0.090 -3.680 37.9 0.490 -2.510 -60.0 -0.990 -4.630 90.2 -0.670 0.880 -36.2 7.430 6.010 23.7 5.260 -2.570 -60.0 -30.000 37.000 -109.0 -30.000 30.000 -144.0 3.970 96.000 55.0 0.600 5.000 -53.0 2.370 19.000 48.0 2.950 4.000 -97.0 5.000 -0.3 2.643 -21.5 0.000 -9.3e+061 5.000 -0.3 0.568 -0.0 0.17 0.77 RMSD table between hits (RMSDs are shaded according to similarity, up to 10Å )

1

2

3

4

5

1

0.00

11.22

9.57

10.62

9.06

2

11.22

0.00

8.63

8.05

9.63

3

9.57

8.63

0.00

7.87

7.03

4

10.62

8.05

7.87

0.00

7.39

5

9.06

9.63

7.03

7.39

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

17.32

18.18

18.18

19.05

2

17.32

100.00

18.30

24.31

19.14

3

18.18

18.30

100.00

17.02

24.26

4

18.18

24.31

17.02

100.00

24.25

5

19.05

19.14

24.26

24.25

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

27.71

28.14

29.44

32.90

2

27.71

100.00

33.62

63.14

36.33

3

28.14

33.62

100.00

49.36

53.19

4

29.44

63.14

49.36

100.00

73.51

5

32.90

36.33

53.19

73.51

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: 31.69% helical, 20.22% extended, 48.09% loops/other (query: 30.92% 14.47% 54.61%)

  SCOP classification:  [Alpha and beta proteins (a/b)]/[alpha/beta-Hydrolases]

 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.
1UXO_A               c.69.1.31     204.58.58.1            NONE   -80.105     0       1  59.87%  13.85%   OPTM     -525.475     -465.610        0.865        0.522        0.527        0.729        0.911     19.740     -45.0     1.940    13.000     140.0     2.170    20.000    -111.5     0.190     0.270      80.1    -0.140    -6.750     -35.9     0.750    -0.510     125.1    -0.790    -3.040     -18.2     6.060     5.000      71.2     6.850     3.320     -54.4   -30.000    25.000     -47.0   -30.000     8.000    -113.0     2.660    46.000     160.0     2.430    25.000     -71.0     0.230     1.000     154.0     7.130    22.000    -111.0     5.000      -0.5     0.521     -16.8    58.000     307.0     5.000      -0.4     1.322      -0.7    0.28  0.87

alignment source: OPTM
            --EEEEE------H HHHHHHHHHHHHH--EEEEE------------------------------HHHHHHHHHHHHHHH
Query:   54 RPVVVVQHGVLRNG-ADYRDFWIPAADRHKLLIVAPTFSDEIWPGVESYNNGRAFTAAGNPRHVDGWTYALVARVLANIR  132
Sbjct:    2 TKQVYIIHGYRASSTNHWFPWLKKRLLADGVQADILNPNPL------------------QPR---------LEDWLDTLS   54
            --EEEEE-----------HHHHHHHHHH---EEEEE-----                  ---         HHHHHHHHH

            HH------EEEEEE---HHHHHHHHHHH--- --EEEEEEE---------------HHH------HHHHHHHH---EEEE
Query:  133 AAEIADCEQVYLFGHSAGGQFVHRLMSSQPH-APFHAVTAANPGWYTLPTFEHRFPEGLDGVGLTEDHLARLLAYPMTIL  211
Sbjct:   55 LYQHTLHENTYLVAHSLGCPAILRFLEHLQLRAALGGIILVSGFAKSLPTL--QLDEFTQG-SFDHQKIIESAKHRAVIA  131
            ---------EEEEEE--HHHHHHHHHH-------EEEEEEE----------  -------- ---HHHHHHHEEEEEEEE

            E---------------HHHHH----HHHHHHHHHHHHHHHHH-------EEEEEE-----    ---    HHHHHHHHH
Query:  212 AGDQDIATDDPNLPSEPAALRQGPHRYARARHYYEAGQRAAAQRGLPFGWQLQVVPGIGH----DGQ----AMSQVCASL  283
Sbjct:  132 SKDDQI------VP-------------------FSFSKDLAQQIDA----ALYEVQHGGHFLEDEGFTSLPIVYDVLTSY  182
            E-----      --                   HHHHHHHHHH---    EEEEE---------------HHHHHHHHHH

            H
Query:  284 W  284
Sbjct:  183 F  183
            H

182 residues (59.87%) 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: 32.66% helical, 21.11% extended, 46.23% loops/other (query: 30.92% 14.47% 54.61%) 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. 2R8B_A not_found 72.72.72.72 NONE -80.133 0 1 65.79% 15.63% OPTM -367.866 -518.630 1.187 0.523 0.436 0.764 0.974 25.690 -50.8 1.110 48.000 120.5 -0.110 -4.500 -87.0 0.780 8.410 68.4 0.150 -1.750 -43.0 0.940 4.910 117.7 0.390 -0.310 -25.8 2.300 -3.910 73.8 9.210 6.410 -59.2 -30.000 29.000 -79.0 -30.000 24.000 -135.0 3.640 84.000 102.0 4.730 40.000 -88.0 3.480 29.000 67.0 6.220 28.000 -134.0 5.000 -1.5 1.557 -20.3 0.000 -9.3e+061 5.000 -1.6 -0.538 0.4 0.23 0.83 alignment source: OPTM +++ there is a problem with all-atom model, click here for details ------EEEEEE----------EEEEE------HHHHHHHHHHHHHH--EEEEE------------------------ - Query: 34 RNADRPFTLNTYRPYGYTPDRPVVVVQHGVLRNGADYRDFWIPAADRHKLLIVAPTFSDEIWPGVESYNNGRAFTAAG-N 112 Sbjct: 43 PTKDSYFHKSRAGVAG----APLFVLLHGTGGDENQFFDFGARLLP--QATILSPVGD------VSEHGAARFFRRTGEG 110 -------EEEE----- --EEEEE------HHHHHHHHHHH-- --EEEEE--- EEE--EEE-------- -----HHHHHHHHHHHHHHHHH------EEEEEE---HHHHHHHHHHH-----EEEEEEE---------------HHH-- Query: 113 PRHVDGWTYALVARVLANIRAAEIADCEQVYLFGHSAGGQFVHRLMSSQPHAPFHAVTAANPGWYTLPTFEHRFPEGLDG 192 Sbjct: 111 VYDVDLERATGKADFIKANREHYQAGP--VIGLGFSNGANILANVLIEQPEL--FDAAVLHPLIPFEPKISPAKP----- 181 ----HHHHHHH--HHHHHHHHHH---- EEEEE--HHHHHHHHHHHH---- --EEE---------------- ----HHHHHHHH---EEEEE---------------HHHHH----HHHHHHHHHHHHHHHHH-------EEEEEE------ Query: 193 VGLTEDHLARLLAYPMTILAGDQDIATDDPNLPSEPAALRQGPHRYARARHYYEAGQRAAAQRGLPFGWQLQVVPGIGHD 272 Sbjct: 182 ------------TRRVLITAGERD-----PICP------------VQLTKALEESLKAQGGT------VETVWHPG-GHE 225 --EEEEEEE--- ---- HHHHHHHHHHHHHH--E EEEEEE-- --- --HHHHHHHHHHH---- Query: 273 GQAMSQVCASLWFDGRM 289 Sbjct: 226 IRSGEIDAVRGFLAAYG 242 --HHHHHHHHHHH---- 200 residues (65.79%) 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: 38.37% helical, 15.70% extended, 45.93% loops/other (query: 30.92% 14.47% 54.61%) 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. 2QJW_A not_found 72.72.72.72 NONE -80.170 0 1 56.58% 17.45% OPTM -396.751 -414.530 0.305 0.452 0.416 0.695 0.936 17.810 -41.6 0.440 25.000 212.5 -0.850 -13.000 -79.5 -1.220 -11.330 109.0 0.400 2.120 -53.7 -0.630 -13.470 158.9 -1.100 -1.710 -32.3 3.490 -6.970 102.1 4.140 -3.300 -52.4 -30.000 25.000 -34.0 -30.000 5.000 -116.0 3.340 62.000 189.0 2.070 20.000 -63.0 -0.820 2.000 200.0 2.960 17.000 -85.0 5.000 -0.7 0.420 -17.0 0.000 -9.3e+061 5.000 -0.7 -0.125 0.1 0.33 0.83 alignment source: OPTM +++ there is a problem with all-atom model, click here for details ----EEEEE------H HHHHHHHHHHHHH--EEEEE------------------------------HHHHHHHHHHHHH Query: 52 PDRPVVVVQHGVLRNG-ADYRDFWIPAADRHKLLIVAPTFSDEIWPGVESYNNGRAFTAAGNPRHVDGWTYALVARVLAN 130 Sbjct: 3 GSRGHCILAHGFESGPDALKVTALAEVAERLGWTHERPDFTDLDAR--------RDLGQLGD-------VRGRLQRLLEI 67 ----EEEEE---------HHHHHHHHHHHH---EEE----HHHH-- -------- HHHHHHHHHHH HHHH------EEEEEE---HHHHHHHHHHH-----EEEEEEE---------------HHH------HHHHHHHH---EEE Query: 131 IRAAEIADCEQVYLFGHSAGGQFVHRLMSSQPHAPFHAVTAANPGWYTLPTFEHRFPEGLDGVGLTEDHLARLLAYPMTI 210 Sbjct: 68 ARAATEK--GPVVLAGSSLGSYIAAQVSLQVPTR---ALFLVPPTKGPLPALDAA-------------------AVPISI 123 HHHHH-- --EEEEE--HHHHHHHHHH------ EEE--------------- ---EEE EE---------------HHHHH----HHHHHHHHHHHHHHHHH-------EEEEEE-- ------HHHHHHHHHHH- Query: 211 LAGDQDIATDDPNLPSEPAALRQGPHRYARARHYYEAGQRAAAQRGLPFGWQLQVVPG---IGHDGQAMSQVCASLWFD 286 Sbjct: 124 VHAWHD-----ELIP-------------------AADVIAWAQARSA----RLLLVDDGHRLGAHVQAASRAFAELLQS 174 EEE--- ---- HHHHHHHHHHH-- EEEEE---------HHHHHHHHHHHHH- 172 residues (56.58%) 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: 34.74% helical, 24.88% extended, 40.38% loops/other (query: 30.92% 14.47% 54.61%) 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. 2O2G_A not_found 72.72.72.72 NONE -80.208 0 1 70.39% 12.69% OPTM -439.788 -573.390 1.005 0.530 0.481 0.752 0.938 25.880 -50.4 -0.090 -19.000 98.0 -0.320 -1.500 -87.0 0.850 6.260 38.6 0.050 -0.580 -42.2 1.000 10.030 82.3 -0.370 -0.560 -23.7 8.760 31.170 18.6 10.990 10.960 -69.8 -30.000 36.000 -94.0 -30.000 25.000 -143.0 2.010 24.000 92.0 1.370 19.000 -59.0 0.800 3.000 44.0 3.000 14.000 -116.0 5.000 -1.1 -0.734 -16.6 0.000 -9.3e+061 5.000 -1.1 0.681 -0.2 0.09 0.72 alignment source: OPTM +++ there is a problem with all-atom model, click here for details ------EEEE---------EEEEEE----------EEEEE--- ---HHHHHHHHHHHHHH--EEEEE----------- Query: 21 HAGRNAIPYLDDDRNADRPFTLNTYRPYGYTPDRPVVVVQHGV--LRNGADYRDFWIPAADRHKLLIVAPTFSDEIWPGV 98 Sbjct: 7 HQPQEYAVSVSVGE---VKLKGNLVIPNGAT---GIVLFAHGSGSSRYSPRNRYVAEVLQQAGLATLLIDLLTQ------ 74 ----EEEEEEEE-- EEEEEEEE------ EEEEEE---------HHHHHHHHHHHHH--EEEEE----H -------------------HHHHHHHHHHHHHHHHH------EEEEEE---HHHHHHHHHHH-----EEEEEEE------ Query: 99 ESYNNGRAFTAAGNPRHVDGWTYALVARVLANIRAAEIADCEQVYLFGHSAGGQFVHRLMSSQPHAPFHAVTAANPGWYT 178 Sbjct: 75 ---EEEEIDLRTRHLRFDIGLLASRLVGATDWLTHNPDTQHLKVGYFGASTGGGAALVAAAERPE-TVQAVVSRGGRPDL 150 HHHHHHHHH------HHHHHHHHHHHHHHHHH-------EEEEEEE-HHHHHHHHHHHH--- -EEEEEEE------ ---------HHH------HHHHHHHH---EEEEE---------------HHHHH----HHHHHHHHHHHHHHHHH----- Query: 179 LPTFEHRFPEGLDGVGLTEDHLARLLAYPMTILAGDQDIATDDPNLPSEPAALRQGPHRYARARHYYEAGQRAAAQRGLP 258 Sbjct: 151 APSALPHV------------------KAPTLLIVGGYD------------LPVIAN--------------EDALEQ--LQ 184 -------- ---EEEEEE--- HHHH-- HHHHHH -- --EEEEEE-------- HHHHHHHHHHH--- Query: 259 FGWQLQVVPGIGHDGQ------AMSQVCASLWFDGR 288 Sbjct: 185 TSKRLVIIPRASHLFEEPGALTAVAQLASEWFHYLR 220 --EEEEEE-----------HHHHHHHHHHHH----- 214 residues (70.39%) 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: 27.78% helical, 22.69% extended, 49.54% loops/other (query: 30.92% 14.47% 54.61%) 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. 2FUK_A not_found 72.72.72.72 NONE -80.209 0 1 70.72% 13.92% OPTM -494.398 -578.330 1.036 0.558 0.487 0.748 0.934 24.130 -52.7 1.810 49.000 41.5 1.490 24.000 -115.0 -0.090 -3.680 37.9 0.490 -2.510 -60.0 -0.990 -4.630 90.2 -0.670 0.880 -36.2 7.430 6.010 23.7 5.260 -2.570 -60.0 -30.000 37.000 -109.0 -30.000 30.000 -144.0 3.970 96.000 55.0 0.600 5.000 -53.0 2.370 19.000 48.0 2.950 4.000 -97.0 5.000 -0.3 2.643 -21.5 0.000 -9.3e+061 5.000 -0.3 0.568 -0.0 0.17 0.77 alignment source: OPTM +++ there is a problem with all-atom model, click here for details ---------EEEE---------EEEEEE----------EEEEE------ HHHHHHHHHHHHHH--EEEEE----- Query: 18 ELGHAGRNAIPYLDDDRNADRPFTLNTYRPYGYTPDRPVVVVQHGVLRN-----GADYRDFWIPAADRHKLLIVAPTFSD 92 Sbjct: 3 NPLFPTESAALTLDGPV---GPLDVAVDLPEPDVAVQPVTAIVCHPLSTEGGSMHNKVVTMAARALRELGITVVRFNFRS 79 --------EEEEEEE-- EEEEEEEE----------EEEEEE------------HHHHHHHHHHH----EEEEE---- -------------------------HHHHHHHHHHHHHHHHH------EEEEEE---HHHHHHHHHHH-----EEEEEEE Query: 93 EIWPGVESYNNGRAFTAAGNPRHVDGWTYALVARVLANIRAAEIADCEQVYLFGHSAGGQFVHRLMSSQPHAPFHAVTAA 172 Sbjct: 80 -------------VGTSAGSFDHGDG-EQDDLRAVAEWVRAQRPTD--TLWLAGFSFGAYVSLRAAAALEPQ---VLISI 140 ------------H HHHHHHHHHHHHHHH---- EEEEEEE-HHHHHHHHHHHHH--- EEEEE ---------------HHH------HHHHHHHH---EEEEE---------------HHHHH----HHHHHHHHHHHHHHHH Query: 173 NPGWYTLPTFEHRFPEGLDGVGLTEDHLARLLAYPMTILAGDQDIATDDPNLPSEPAALRQGPHRYARARHYYEAGQRAA 252 Sbjct: 141 APPAGRWDFSDVQPP------------------AQWLVIQGDADEIVD------------------------PQAVYDWL 178 --------------- --EEEEEE------- HHHHHHHH H-------EEEEEE-------- HHHHHHHHHHH----- Query: 253 AQRGLPFGWQLQVVPGIGHDGQ---AMSQVCASLWFDGRMP 290 Sbjct: 179 ET--LEQQPTLVRMPDTSHFFHRKLIDLRGALQHGVRRWLP 217 -- -----EEEEE----------HHHHHHHHHHHH----- 215 residues (70.72%) of query sequence aligned
DONE: Mon Aug 11 10:31:08 2008 EST