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:Thu Aug 14 17:02:08 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 T0452
    --> 326 residues, sequence name: T0452
   Database: T:\CBSU\blastdb\20080108\nr


 -> 9 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 4 4 5 0 0 0 1
5 dynamic database entries created: 1Q7G_A 1EBF_A 1R0K_A 1VC2_A 2HO3_A RESULTS secondary structure prediction shows 40.80% helical, 19.63% extended and 39.57% loops/other homologs/domains used: 0 query sequence T0452 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 d.81.1.2.1_A d.81.1.2 9.1.1.1 NONE -85.522 0 1 49.08% 28.75% OPTM -604.000 -415.160 2.538 0.702 0.564 0.822 0.972 26.960 -49.2 1.770 -10.000 143.0 10.030 118.500 -234.0 0.680 5.820 96.5 0.060 -4.900 -36.1 1.330 5.290 142.0 6.800 17.790 -44.5 2.870 3.550 104.9 12.530 20.000 -65.3 -30.000 10.000 -31.0 -30.000 29.000 -121.0 5.900 71.000 99.0 33.510 304.000 -388.0 -5.000 -24.000 247.0 2.050 10.000 -72.0 5.000 -20.5 -1.405 -14.4 -64.000 351.0 5.000 -20.5 -0.509 -12.5 0.23 0.86 2 3C8M_A not_found 27.27.27.27 NONE -85.603 0 1 97.24% 28.13% OPTM -1342.271 -867.380 10.864 0.668 0.586 0.949 0.949 72.710 -98.7 14.290 384.000 -420.5 20.660 345.500 -455.5 2.180 3.590 -42.3 2.810 12.600 -66.9 7.930 52.750 -49.2 12.590 49.150 -80.9 18.860 104.130 -134.8 30.820 94.040 -153.3 -30.000 116.000 -246.0 -30.000 96.000 -248.0 38.340 856.000 -843.0 80.000 821.000 -880.0 9.800 78.000 -188.0 10.810 71.000 -204.0 5.000 -43.1 -1.832 -10.1 0.000 -9.3e+061 5.000 -43.1 0.544 -26.0 0.62 0.88 3 2EJW_A not_found 27.27.27.27 NONE -85.743 0 1 94.17% 32.31% OPTM -1455.984 -756.750 10.509 0.682 0.660 0.898 0.915 72.950 -104.8 18.010 406.500 -468.5 30.660 435.000 -562.5 -0.550 -8.290 -27.0 1.190 5.510 -64.7 0.320 -3.940 4.3 11.360 48.220 -89.0 5.410 7.670 -55.5 22.370 61.380 -127.5 -30.000 50.000 -207.0 -30.000 54.000 -228.0 33.720 892.500 -797.5 90.310 832.500 -895.5 5.880 94.000 -186.0 9.300 75.000 -221.0 5.000 -62.0 -3.807 -20.8 0.000 -9.3e+061 5.000 -62.0 -0.959 -38.3 0.58 0.83 4 c.2.1.3.38_A c.2.1.3 249.70.70.34 NONE -86.175 0 1 50.00% 11.41% OPTM -607.962 -379.540 0.782 0.515 0.452 0.799 0.892 10.900 -38.3 3.000 56.000 276.5 -0.050 -35.000 -73.0 1.700 10.480 122.4 0.280 -0.460 -47.2 2.430 15.020 175.3 0.840 2.280 -37.1 7.480 21.960 123.3 7.770 -0.640 -52.4 -30.000 7.000 3.0 -30.000 4.000 -121.0 6.310 103.000 224.0 7.920 51.000 -114.0 -4.010 -9.000 300.0 0.660 -6.000 -71.0 5.000 -1.1 0.749 -18.7 0.000 -9.3e+061 5.000 -1.1 5.000 0.5 0.69 0.83 5 c.2.1.3.34_A c.2.1.3 249.70.70.34 NONE -86.224 0 1 49.08% 17.53% OPTM -566.674 -473.010 0.595 0.548 0.393 0.774 0.870 14.020 -41.4 2.310 8.500 220.5 3.650 43.000 -132.5 -0.410 -4.870 128.1 0.660 1.410 -51.6 -0.660 -2.170 182.8 -0.110 0.860 -36.3 2.790 4.190 133.1 9.300 2.760 -54.2 -30.000 11.000 -5.0 -30.000 7.000 -113.0 2.680 21.000 220.0 6.080 43.000 -114.0 -3.110 -12.000 289.0 1.710 4.000 -75.0 5.000 -5.0 1.233 -21.8 0.000 -9.3e+061 5.000 -5.0 0.255 -4.2 0.69 0.88 RMSD table between hits (RMSDs are shaded according to similarity, up to 10Å )

1

2

3

4

5

1

0.00

3.36

2.84

6.58

11.00

2

3.36

0.00

4.77

9.05

12.13

3

2.84

4.77

0.00

9.93

12.53

4

6.58

9.05

9.93

0.00

8.36

5

11.00

12.13

12.53

8.36

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

73.75

100.00

48.72

26.53

2

73.75

100.00

52.81

40.22

26.29

3

100.00

52.81

100.00

25.54

26.80

4

48.72

40.22

25.54

100.00

37.50

5

26.53

26.29

26.80

37.50

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

100.00

100.00

61.54

48.98

2

100.00

100.00

100.00

64.13

53.61

3

100.00

100.00

100.00

51.63

76.80

4

61.54

64.13

51.63

100.00

87.50

5

48.98

53.61

76.80

87.50

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: 34.92% helical, 20.63% extended, 44.44% loops/other (query: 40.80% 19.63% 39.57%)

  SCOP classification:  [Alpha and beta proteins (a+b)]/[FwdE/GAPDH domain-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.81.1.2.1_A         d.81.1.2      9.1.1.1                NONE   -85.522     0       1  49.08%  28.75%   OPTM     -604.000     -415.160        2.538        0.702        0.564        0.822        0.972     26.960     -49.2     1.770   -10.000     143.0    10.030   118.500    -234.0     0.680     5.820      96.5     0.060    -4.900     -36.1     1.330     5.290     142.0     6.800    17.790     -44.5     2.870     3.550     104.9    12.530    20.000     -65.3   -30.000    10.000     -31.0   -30.000    29.000    -121.0     5.900    71.000      99.0    33.510   304.000    -388.0    -5.000   -24.000     247.0     2.050    10.000     -72.0     5.000     -20.5    -1.405     -14.4   -64.000     351.0     5.000     -20.5    -0.509     -12.5    0.23  0.86

alignment source: OPTM
            HHHHHHHHHH- ---HEEEEEE-----HHHHHHHHH--   --HHHHHHHHHH--------------HHHHHHHHHHHHH
Query:  147 PVVKLAKRYLA-LCEIESVKGIFNGTCNYILSRMEEER---LPYEHILKEAQELGYAEADPSYDVEGIDAALKLVIIANT  222
Sbjct:  151 PIISFLREIIQTGDEVEKIEGIFSGTLSYIFNEFSTSQANDVKFSDVVKVAKKLGYTEPDPRDDLNGLDVARKVTIVGRI  230
            --HHHHHHHHHH---EEEEEEE--HHHHHHHHHH---------HHHHHHHHHHH-------HHHH--HHHHHHHHHHHHH

            H---- -HH--EE---                  ----HHHHHHHHH----   EEEEEEE----  EEEEEEE------
Query:  223 IGVKA-SYEDVEVTGI------------------TQITPEAFQVAAEKGYT---IRLIAEVSREK--LKVSPRLVPFHHP  278
Sbjct:  231 SGVEVESPTSFPVQSLIPKPLESVKSADEFLEKLSDYDKDLTQLKKEAATENKVLRFIGKVDVATKSVSVGIEKYDYSHP  310
            ---------------------------HHHHHHH---HHHHHHHHHHH----EEEEEEEEEE----EEEEEEEEEE----

            EE E----EEEEEE---- --EEEEE----
Query:  279 LA-IKGTMNAAMFKTDTA-GSIFVAGRGAG  306
Sbjct:  311 FASLKGSDNVISIKTKRYTNPVVIQGAGAG  340
            --------EEEEEEE------EEEEE----

160 residues (49.08%) 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: 35.74% helical, 20.38% extended, 43.89% loops/other (query: 40.80% 19.63% 39.57%) 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. 3C8M_A not_found 27.27.27.27 NONE -85.603 0 1 97.24% 28.13% OPTM -1342.271 -867.380 10.864 0.668 0.586 0.949 0.949 72.710 -98.7 14.290 384.000 -420.5 20.660 345.500 -455.5 2.180 3.590 -42.3 2.810 12.600 -66.9 7.930 52.750 -49.2 12.590 49.150 -80.9 18.860 104.130 -134.8 30.820 94.040 -153.3 -30.000 116.000 -246.0 -30.000 96.000 -248.0 38.340 856.000 -843.0 80.000 821.000 -880.0 9.800 78.000 -188.0 10.810 71.000 -204.0 5.000 -43.1 -1.832 -10.1 0.000 -9.3e+061 5.000 -43.1 0.544 -26.0 0.62 0.88 alignment source: OPTM +++ there is a problem with all-atom model, click here for details EEEEEE-----HHHHHHHHHHHHHHHHHH---EEEEEEEE-------- --HHHHHHHHH---- ----HHHHHHHH- Query: 2 IKIAIVGFGTVGQGVAELLIRKREEIEKAIGEFKVTAVADSKSSISGD-FSLVEALRMKRETGM---LRDDAKAIEVVRS 77 Sbjct: 4 INLSIFGLGNVGLNLLRIIRSFNEENRLGL-KFNVVFVADSLHSYYNERIDIGKVISYKEKGSLDSLEYESISASEALAR 82 EEEEE---HHHHHHHHHHHHHHHH-----E EEEEEEE----EEE-----HHHHHHHHH---------EE--HHHHHH-- ----EEEEE-------HHHHHHHHHHHH----EEEE---HHHHHHHHHHHHHHH----EEEEE-----HHHHHHHHHHH- Query: 78 ADYDVLIEASVTRVDGGEGVNYIREALKRGKHVVTSNKGPLVAEFHGLMSLAERNGVRLMYEATVGGAMPVVKLAKRYLA 157 Sbjct: 83 -DFDIVVDATPASADGKKELAFYKETFENGKDVVTANK-SGLANFWPEIEYARSNNRRIRYEATVAGGVPLFSFIDYSVL 160 --EEEE--------HHHHHHHHHHHH---EEEE---H HHHHH-----HHHHH---EE-----------HHHHHHH--- ---HEEEEEE-----HHHHHHHHH----HHHHHHHHHH--------------HHHHHHHHHHHHHH -----HH--EE-- Query: 158 LCEIESVKGIFNGTCNYILSRMEEERLPYEHILKEAQELGYAEADPSYDVEGIDAALKLVIIANTI-GVKASYEDVEVTG 236 Sbjct: 161 PSRIKKFRGIVSLTINYFIRELANKR-EFDDVLSEATKLGIVEKNYKDDLTGLDAARKSVILCNHLYGSSYRLSDVFYEG 239 ----EEEEE--HHHHHHHHHHH---- HHHHHHHHHHH-------HHHH--HHHHHHHHHHHHHHH---------EE--- -----HHHHHHHHH----EEEEEEE--- -EEEEEEE---- --EEE----EEEEEE------EEEEE------HHH Query: 237 ITQITPEAFQVAAEKGYTIRLIAEVSRE--KLKVSPRLVPFH---HPLAIKGTMNAAMFKTDTAGSIFVAGRGAGKEETA 311 Sbjct: 240 ILQDRS--------FGKNERLVTETGIVNGKPSAESRIKSLDSNDYLLTLGKGSLGYQLQTDTNGTLNVSDLYDGPYETA 311 ------ ---EEEEEEEEEE--EEEEEEEEEE---------------EEEEE-----EEEEE-----HHHHHH HHHHHHHHHH Query: 312 SAILSDLYEI 321 Sbjct: 312 GAV-NDLVIL 320 H-- HHHHH- 317 residues (97.24%) 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: 36.66% helical, 23.79% extended, 39.55% loops/other (query: 40.80% 19.63% 39.57%) 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. 2EJW_A not_found 27.27.27.27 NONE -85.743 0 1 94.17% 32.31% OPTM -1455.984 -756.750 10.509 0.682 0.660 0.898 0.915 72.950 -104.8 18.010 406.500 -468.5 30.660 435.000 -562.5 -0.550 -8.290 -27.0 1.190 5.510 -64.7 0.320 -3.940 4.3 11.360 48.220 -89.0 5.410 7.670 -55.5 22.370 61.380 -127.5 -30.000 50.000 -207.0 -30.000 54.000 -228.0 33.720 892.500 -797.5 90.310 832.500 -895.5 5.880 94.000 -186.0 9.300 75.000 -221.0 5.000 -62.0 -3.807 -20.8 0.000 -9.3e+061 5.000 -62.0 -0.959 -38.3 0.58 0.83 alignment source: OPTM +++ there is a problem with all-atom model, click here for details EEEEEE-----HHHHHHHHHHHHHHHHHH---EEEEEEEE----------HHHHHHHHH--------HHHHHHHH---- Query: 2 IKIAIVGFGTVGQGVAELLIRKREEIEKAIGEFKVTAVADSKSSISGDFSLVEALRMKRETGMLRDDAKAIEVVRSADY- 80 Sbjct: 4 LKIALLGGGTVGSAFYNLVLERAEELSAFGVVPRFLGVLVRDPRKPRAI----------PQELLRAE--------PFDLL 65 EEEEE---HHHHHHHHHHHH---------EEEEEEEEE----------- ---EE--- ----- -EEEEE-------HHHHHHHHHHHH----EEEE---HHHHHHHHHHHHHHH----EEEEE-----HHHHHHHHHHH-- Query: 81 --DVLIEASVTRVDGGEGVNYIREALKRGKHVVTSNKGPLVAEFHGLMSLAERNGVRLMYEATVGGAMPVVKLAKRYLAL 158 Sbjct: 66 EADLVVEAMG---GVEAPLRLVLPALEAGIPLITANKALLAEAWESLRPFAEEG--LIYHEASVMAGTPALSFLETLRG- 139 --EEEE---- -HHHHHHHHHHHH----EEE--HHHHHH-HHHHHHHHH--- EE-----------HHHHHHH--- --HEEEEEE-----HHHHHHHHH----HHHHHHHHHH--------------HHHHHHHHHHHHHH-- ---HH--EE--- Query: 159 CEIESVKGIFNGTCNYILSRMEEERLPYEHILKEAQELGYAEADPSYDVEGIDAALKLVIIANTIGV-KASYEDVEVTGI 237 Sbjct: 140 SELLELHGILNGTTLYILQEMEKGR-TYAEALLEAQRLGYAEADPTLDVEGIDAAHKLTLLARLLVDPGFPFAEVEAQGI 218 EEEEEEEE--HHHHHHHHHHH---- HHHHHHHHHH--------HHHH--HHHHHHHHHHHHHH----------EE---- ----HHHHHHHHH----EEEEEEE---- EEEEEEE------EEE----EEEEEE------EEEEE------HHHHH Query: 238 TQITPEAFQVAAEKGYTIRLIAEVSREK----LKVSPRLVPFHHPLAIKGTMNAAMFKTDTAGSIFVAGRGAGKEETASA 313 Sbjct: 219 ARLTPEVLQKAEARGERVRLVASLFGEGGRWRAAVAPRRLPQDHPLARARG-NALWVRARPLGEAFVTGPGAGGGATASG 297 ---HHHHHHHHH--EEEEEEEEEEEE--EEEEEEEEEEEE---HHHH---E EEEEEEE--EEEEEEE----HHHHHHHH HHHHHHHHHH--- Query: 314 ILSDLYEIYAGPR 326 Sbjct: 298 LFADLLRFLSGAP 310 HHHHHHHH----- 307 residues (94.17%) 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: 44.79% helical, 15.34% extended, 39.88% loops/other (query: 40.80% 19.63% 39.57%) SCOP classification: [Alpha and beta proteins (a/b)]/[NAD(P)-binding Rossmann-fold domains] 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. c.2.1.3.38_A c.2.1.3 249.70.70.34 NONE -86.175 0 1 50.00% 11.41% OPTM -607.962 -379.540 0.782 0.515 0.452 0.799 0.892 10.900 -38.3 3.000 56.000 276.5 -0.050 -35.000 -73.0 1.700 10.480 122.4 0.280 -0.460 -47.2 2.430 15.020 175.3 0.840 2.280 -37.1 7.480 21.960 123.3 7.770 -0.640 -52.4 -30.000 7.000 3.0 -30.000 4.000 -121.0 6.310 103.000 224.0 7.920 51.000 -114.0 -4.010 -9.000 300.0 0.660 -6.000 -71.0 5.000 -1.1 0.749 -18.7 0.000 -9.3e+061 5.000 -1.1 5.000 0.5 0.69 0.83 alignment source: OPTM +++ there is a problem with all-atom model, click here for details EEEEEE-----HHHHHHHHHHHHHHHHHH---EEEEEEEE----------HHHHHHHHH--------HHHHHHHH----- Query: 2 IKIAIVGFGTVGQGVAELLIRKREEIEKAIGEFKVTAVADSKSSISGDFSLVEALRMKRETGMLRDDAKAIEVVRSADYD 81 Sbjct: 6 LRIGVVGLGG-------IAQKAWLPVLAAASDWTLQGAWSPT-----RAKALPICESWRIP--YADS---LSSLAAS-CD 67 EEEEE----H HHH-HHHHHH----EEEEEEE---- --HHHHHHHH---- ---H HHHH--- -E EEEEE-------HHHHHHHHHHHH----EEEE---H HHHHHHHHHHHHHH----EEEEE-----HHHHHHHHHHH---- Query: 82 VLIEASVTRVDGGEGVNYIREALKRGKHVVTSNKGP-LVAEFHGLMSLAERNGVRLMYEATVGGAMPVVKLAKRYLALCE 160 Sbjct: 68 AVFVHSSTA----SHFDVVSTLLNAGVHVCVDKPLAENLRDAERLVELAARKKLTLMVGFNRRFFVGCARHFIECVQNQT 143 EEE-----H HHHHHHHHHH---EEEEE------HHHHHHHHHHHHH----EEEE------HHHHHHHHHHHHH--- HEEEEEE----- HHHHHHHHH---- Query: 161 IESVKGIFNGTC---NYILSRMEEERLP 185 Sbjct: 144 VPQT---AGEQAVLAQRIVDKIWRDAMS 168 ---- -----HHHHHHHHHHHHH--S 163 residues (50.00%) 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: 45.83% helical, 18.45% extended, 35.71% loops/other (query: 40.80% 19.63% 39.57%) SCOP classification: [Alpha and beta proteins (a/b)]/[NAD(P)-binding Rossmann-fold domains] 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. c.2.1.3.34_A c.2.1.3 249.70.70.34 NONE -86.224 0 1 49.08% 17.53% OPTM -566.674 -473.010 0.595 0.548 0.393 0.774 0.870 14.020 -41.4 2.310 8.500 220.5 3.650 43.000 -132.5 -0.410 -4.870 128.1 0.660 1.410 -51.6 -0.660 -2.170 182.8 -0.110 0.860 -36.3 2.790 4.190 133.1 9.300 2.760 -54.2 -30.000 11.000 -5.0 -30.000 7.000 -113.0 2.680 21.000 220.0 6.080 43.000 -114.0 -3.110 -12.000 289.0 1.710 4.000 -75.0 5.000 -5.0 1.233 -21.8 0.000 -9.3e+061 5.000 -5.0 0.255 -4.2 0.69 0.88 alignment source: OPTM EEEEEE-----HHHHHHHHHHHHHHHHHH---EEEEEEEE----------HHHHHHHHH--------HHHHHHHH----- Query: 2 IKIAIVGFGTVGQGVAELLIRKREEIEKAIGEFKVTAVADSKSSISGDFSLVEALRMKRETGMLRDDAKAIEVVRSADYD 81 Sbjct: 9 FGVVVVGVG----RAGSVRLRDLKDPRSAAF-LNLIGFVSRRELGSLD-----------EVRQIS----LEDALRSQEID 68 EEEEE---H HHHHHHHHH--HHHH--E EEEEEE------EE-- EE---H HHHHH---EEE EEEEE-------HHHHHHHHHHHH----EEEE---H HHHHHHHHHHHHHH----EEEEE----- HHHHHHHHHHH Query: 82 VLIEASVTRVDGGEGVNYIREALKRGKHVVTSNKGP-LVAEFHGLMSLAERNGVRLMYEATVGGA----MPVVKLAKRYL 156 Sbjct: 69 VAYICS----ESSSHEDYIRQFLQAGKHVLVEYPMTLSFAAAQELWELAAQKG-RVLHEEHVELLKNIFLKDQDIFVQKL 143 EEE--- ---HHHHHHHHHH---EEEEE------HHHHHHHHHHHHH--- -EEEE-------HHHHHHHHHHHHH- ----HEEEEEE-----HHHHHHHHH----HHHHHHHHHH Query: 157 ALCEIESVKGIFNGTCNYILSRMEEERLPYEHILKEAQE 195 Sbjct: 144 LD----------QVS----AEDLAAEKKRIMHCLGLASD 168 -- --H HHHHHHHHHHHHHHHHHHHH 160 residues (49.08%) of query sequence aligned
DONE: Fri Aug 15 02:25:42 2008 EST