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:Wed Aug 13 16:29:12 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 T0449
    --> 307 residues, sequence name: T0449
   Database: T:\CBSU\blastdb\20080108\nr


 -> 14 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 68 84 9 1 4 0 1 1
5 dynamic database entries created: 2CIR_A 2HTA_A 1SNZ_A 1NS0_A 1NSM_A RESULTS secondary structure prediction shows 0.00% helical, 40.07% extended and 59.93% loops/other homologs/domains used: 0 query sequence T0449 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 1LUR_A b.30.5.4 215.17.14.5 NONE -81.613 0 1 96.09% 17.29% OPTM -699.763 -715.570 3.640 0.528 0.883 0.824 0.899 32.920 -79.1 2.360 72.000 -96.5 3.890 43.500 -182.5 0.020 -1.230 -18.9 0.540 1.780 -43.1 0.220 -0.490 15.4 3.580 9.330 -30.6 1.410 -1.130 -69.5 8.670 20.210 -105.3 -30.000 15.000 -204.0 -30.000 26.000 -217.0 8.520 198.000 -114.0 13.380 85.000 -151.0 8.720 93.000 -162.0 12.450 72.000 -180.0 5.000 -11.7 3.417 -31.9 -71.000 410.0 5.000 -11.5 0.176 -3.7 0.72 0.91 2 1L7J_A b.30.5.4 215.17.14.5 NONE -81.754 0 1 95.44% 21.50% OPTM -674.042 -588.820 3.380 0.471 0.751 0.797 0.916 30.840 -78.7 3.380 95.000 -110.5 3.920 76.000 -175.5 0.390 11.590 24.4 1.040 8.060 -62.5 0.530 17.810 61.6 2.150 11.900 -44.5 1.610 14.120 -35.2 6.960 16.890 -100.5 -30.000 31.000 -198.0 -30.000 37.000 -215.0 7.220 202.500 -69.5 16.530 103.000 -149.0 5.460 63.000 -146.0 9.710 51.000 -191.0 5.000 -13.4 -0.537 -14.7 0.000 -9.3e+061 5.000 -11.0 -0.268 -4.0 0.64 0.85 3 2CIQ_A not_found 77.77.77.31 NONE -81.838 0 1 91.21% 20.69% OPTM -742.935 -715.750 3.616 0.546 0.800 0.848 0.857 28.120 -76.1 3.680 54.500 -124.0 7.670 87.500 -218.0 -0.400 -3.910 -12.0 -0.680 -3.420 -47.9 -0.830 -12.800 25.2 -1.680 -3.350 -30.5 2.310 -0.050 -60.4 6.030 5.930 -89.0 -30.000 18.000 -180.0 -30.000 10.000 -182.0 9.440 166.500 -130.5 25.440 185.000 -233.0 2.980 34.000 -116.0 10.550 67.000 -189.0 5.000 -25.5 -1.927 -17.6 0.000 -9.3e+061 5.000 -25.5 -0.102 -7.0 0.71 0.79 4 2CIR_A not_found 77.77.77.31 NONE -81.970 0 1 91.21% 20.69% OPTM -647.864 -581.750 3.557 0.516 0.830 0.844 0.853 27.310 -75.2 3.620 55.000 -128.0 8.110 93.000 -219.5 -0.200 -10.680 -10.0 -0.380 0.140 -44.0 -0.500 -19.130 26.3 0.210 1.300 -30.3 2.580 -3.760 -59.4 5.980 6.980 -89.4 -30.000 20.000 -183.0 -30.000 12.000 -185.0 9.630 162.500 -128.5 25.350 186.000 -234.0 3.220 41.000 -117.0 10.390 63.000 -186.0 5.000 -25.3 -1.793 -17.4 0.000 -9.3e+061 5.000 -25.3 -0.119 -7.1 0.72 0.83 5 1JOV_A b.30.5.7 215.17.14.1 NONE -82.067 0 1 80.13% 12.85% OPTM -685.072 -616.020 2.151 0.462 0.738 0.759 0.811 20.370 -63.8 0.760 -8.500 -14.5 1.070 0.000 -108.5 0.700 12.260 -0.3 0.420 0.810 -39.9 1.110 16.170 33.7 0.170 3.940 -23.1 4.410 20.230 -50.6 4.360 -3.310 -81.9 -30.000 29.000 -178.0 -30.000 7.000 -190.0 1.780 39.500 54.5 8.770 67.000 -112.0 -0.410 -21.000 -48.0 6.940 27.000 -156.0 5.000 -11.0 2.194 -32.1 43.000 315.0 5.000 -11.0 0.663 -1.1 0.51 0.91 RMSD table between hits (RMSDs are shaded according to similarity, up to 10Å )

1

2

3

4

5

1

0.00

9.43

8.44

7.48

10.86

2

9.43

0.00

11.96

11.39

13.78

3

8.44

11.96

0.00

4.10

9.92

4

7.48

11.39

4.10

0.00

9.08

5

10.86

13.78

9.92

9.08

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

49.49

28.62

29.31

15.97

2

49.49

100.00

21.45

21.45

17.01

3

28.62

21.45

100.00

64.48

20.49

4

29.31

21.45

64.48

100.00

20.14

5

15.97

17.01

20.49

20.14

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

67.92

55.86

55.52

28.82

2

67.92

100.00

56.06

56.06

22.22

3

55.86

56.06

100.00

100.00

34.38

4

55.52

56.06

100.00

100.00

34.38

5

28.82

22.22

34.38

34.38

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:  3.11% helical, 41.61% extended, 55.28% loops/other (query:  0.00% 40.07% 59.93%)

  SCOP classification:  [All beta proteins]/[Supersandwich]

 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.
1LUR_A               b.30.5.4      215.17.14.5            NONE   -81.613     0       1  96.09%  17.29%   OPTM     -699.763     -715.570        3.640        0.528        0.883        0.824        0.899     32.920     -79.1     2.360    72.000     -96.5     3.890    43.500    -182.5     0.020    -1.230     -18.9     0.540     1.780     -43.1     0.220    -0.490      15.4     3.580     9.330     -30.6     1.410    -1.130     -69.5     8.670    20.210    -105.3   -30.000    15.000    -204.0   -30.000    26.000    -217.0     8.520   198.000    -114.0    13.380    85.000    -151.0     8.720    93.000    -162.0    12.450    72.000    -180.0     5.000     -11.7     3.417     -31.9   -71.000     410.0     5.000     -11.5     0.176      -3.7    0.72  0.91

alignment source: OPTM
 +++ there is a problem with all-atom model, click here for details
            -EEEE----EEEEEE----EEEEEE-----  -EEEE------      -----EEEEEEE-------EE-----EE-- 
Query:    1 MDYTIENNMIKVVISDHGAEIQSVKSAHTD--EEFMWQANPEI------WGRHAPVLFPIVGRLKNDEYTYKGKTYHLG-   71
Sbjct: 1006 IEIANKQG-LTATLLPFGATLAKLTFPDKNGKNQDLVLGFDTIDEFEKDAASIGKTVGRVANRIKNSTLHFDGKQYTTPN 1084
            EEE----- EEEEE----EEEEEEEE-----EEE-------HHHHHH-------EE-----EE----EEE--EEE-----

                 ----   -----EEEEE----EEEEEEE------------EEEEEEEEE-- -EEEEEEEEEE-----EEEE---
Query:   72 -----QHGF---ARNADFEVENHTKESITFLLKDNEETRKVYPFKFEFRVNYNLMN-NLLEENFSVVNKSDETMIFGVGG  142
Sbjct: 1085 NGPHYLHGGPNGLGYRKWEVVRHAPESVSFSVRANEQDDGL-PGDAKIDVTYTVNDRNQLIIEHHATCDT--PGLLALTN 1161
            ---EE------------EEEEEE--EEEEEEEEEHHHH--- -EEEEEEEEEE----EEEEEEEEE----  EE---EE-

            --EEE----     ------EEEEEE----  ---------------     ----------E-----------EEEE--
Query:  143 HPGFNLPTD-----HGENKEDFYFDMHPSV--TRVRIPLKDASLDWN-----NRSLAPTDSLIALSDDLFKDDALIYELR  210
Sbjct: 1162 HAYWNLDGSDTVAEHFLEEADEFVEVDDTFCPTGAIRSVTDTGFDFRSGKQLKESGKDAEELLDL------DNDLVITKK 1235
            -EE-----------EE--EEEEEEE-----EEEEEEE-----------EE--------------E      EEEEE----

            ----EEEEEE-----EEEEEE----EEEEEE--      -----E     EEEE---------------------EEE--
Query:  211 GNDNKVSLRTDKNKFHVNVWTRDAPFVGIWSQY------PKTDNY-----VCIEPWWGIADRDDADGDLEHKYGMNHLKP  279
Sbjct: 1236 TPSTYLRFWSEKSGIELSITTS-YPVIHLYASKFLDCKGKKGEHYKANKALAIEPQFHSAA-----PNFDH-FPDVSLRP 1308
            ----EEEE-----EEEEEEE-- -EEEEE------EE-----EE-----EEEEEE------     ----- ---EE---

            --EEEEEEEEEEEE--
Query:  280 GKEFQAGFSMTYHSTT  295
Sbjct: 1309 GDHYCQEIVYTFSHVN 1324
            --EEEEEEEEEEE--N

295 residues (96.09%) 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: 5.04% helical, 37.69% extended, 57.27% loops/other (query: 0.00% 40.07% 59.93%) SCOP classification: [All beta proteins]/[Supersandwich] 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. 1L7J_A b.30.5.4 215.17.14.5 NONE -81.754 0 1 95.44% 21.50% OPTM -674.042 -588.820 3.380 0.471 0.751 0.797 0.916 30.840 -78.7 3.380 95.000 -110.5 3.920 76.000 -175.5 0.390 11.590 24.4 1.040 8.060 -62.5 0.530 17.810 61.6 2.150 11.900 -44.5 1.610 14.120 -35.2 6.960 16.890 -100.5 -30.000 31.000 -198.0 -30.000 37.000 -215.0 7.220 202.500 -69.5 16.530 103.000 -149.0 5.460 63.000 -146.0 9.710 51.000 -191.0 5.000 -13.4 -0.537 -14.7 0.000 -9.3e+061 5.000 -11.0 -0.268 -4.0 0.64 0.85 alignment source: OPTM +++ there is a problem with all-atom model, click here for details EEEE--- -EEEEEE----EEEEEE------EEEE--- --------EEEEEEE-------EE-----EE--- Query: 2 DYTIENN-MIKVVISDHGAEIQSVKSAHTDEEFMWQAN-----PEIWGRHAPVLFPIVGRLKNDEYTYKGKTYHLGQ--- 72 Sbjct: 14 LISLTNKAGVTISFTNLGARIVDWQKD--GKHLILGFDSAKEYLEKDAYPGATVGPTAGRIKDGLVKISGKDYILNQNEG 91 EEEE-----EEEEE----EEEEEE--- ---------HHHHHH-------EE-----EE---EEEE--EEEE------- --- -----EEEEE---- EEEEEEE------------EEEEEEEEE-- -EEEEEEEEEE-----EEEE-- Query: 73 ----HGF-----ARNADFEVENHTKE-SITFLLKDNEETRKVYPFKFEFRVNYNLMN-NLLEENFSVVNKSDETMIFGVG 141 Sbjct: 92 PQTLHGGEESIHTKLWTYEVTDLGAEVQVKFSLVSNDGTNG-YPGKIEMSVTHSFDDDNKWKIHYEAISDKD--TVFNPT 168 -EE------------EEEEEE---EEEEEEEEEE------- ---EEEEEEEEEE---EEEEEEEEEE---E E---EE ---EEE---------- EEEEEE-------- ----------- ---- ------E-- Query: 142 GHPGFNLPTDHGENKE--------DFYFDMHPSVTRVR---IPLKDASLDWN---------NRSL------APTDSLIAL 195 Sbjct: 169 GHVYFNLNGDASESVENHGLRLAASRFVPLKDQTEIVRGDIVDIKNTDLDFRQEKQLSNAFNSNMEQVQLVKGIDHPFLL 248 --EE-------------EEEE-EEEE--------------EE-----------EEHHHHH----HHHHHH---EEEEEE- ---------EEEE------EEEEEE-----EEEEEE----EEEEEE-------EEEEE---------------------E Query: 196 SDDLFKDDALIYELRGNDNKVSLRTDKNKFHVNVWTRDAPFVGIWSQYPKTDNYVCIEPWWGIADRDDADGDLEHKYGMN 275 Sbjct: 249 DQLGLDKEQARLTLD--DTSISVFTDQP--SIVIFTANFGDLGTLYHEKKQVHHGGITFECQVSPGSEQIPELGDI---- 320 --------EEEEE-- EEEEEEE---E EEEE---------EE--EE------EE-EEE--------------E EE----EEEEEEEEEEEE- Query: 276 HLKPGKEFQAGFSMTYHST 294 Sbjct: 321 SLKAGEKYQATTIYSLHTK 339 E-----EEEEEEEEEE--K 293 residues (95.44%) 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: 4.55% helical, 45.80% extended, 49.65% loops/other (query: 0.00% 40.07% 59.93%) 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. 2CIQ_A not_found 77.77.77.31 NONE -81.838 0 1 91.21% 20.69% OPTM -742.935 -715.750 3.616 0.546 0.800 0.848 0.857 28.120 -76.1 3.680 54.500 -124.0 7.670 87.500 -218.0 -0.400 -3.910 -12.0 -0.680 -3.420 -47.9 -0.830 -12.800 25.2 -1.680 -3.350 -30.5 2.310 -0.050 -60.4 6.030 5.930 -89.0 -30.000 18.000 -180.0 -30.000 10.000 -182.0 9.440 166.500 -130.5 25.440 185.000 -233.0 2.980 34.000 -116.0 10.550 67.000 -189.0 5.000 -25.5 -1.927 -17.6 0.000 -9.3e+061 5.000 -25.5 -0.102 -7.0 0.71 0.79 alignment source: OPTM +++ there is a problem with all-atom model, click here for details -EEEE--- -EEEEEE----EEEEEE------EEEE------- ---- EEEEEEE-------EE-----EE-- Query: 1 MDYTIENN---MIKVVISDHGAEIQSVKSAHTDEEFMWQANPEIW--GRHA----PVLFPIVGRLKNDEYTYKGKTYHLG 71 Sbjct: 8 KEVVLTHPADETTSVHILKYGATVYSWKLKS--EEQLWLSTAAKLDGSKPVRGGIPLVFPVFGKNSTDEHLSK-----LP 80 EEEEEE--EEEEEEEEE----EEEEEEE--E E---------------------EE---------------- -- ---------EEEEE---- EEEEEEE----- -------EEEEEEEEE---EEEEEEEEEE-- ---EEEE----- Query: 72 QHGFARNADFEVENHTKE---SITFLLKDNEET---RKVYPFKFEFRVNYNLMNNLLEENFSVVNKS-DETMIFGVGGHP 144 Sbjct: 81 QHGLARNSTWEFLGQTKENPPTVQFGLKPEIANPELTKLWPMDYLLILTVELGSDYLKTAIEVENTSSSKELKFNWLFHT 160 ---------EEEEEEEE--EEEEEEE------HHHHHH-----EEEEEEEE---EEEEEEEEE-------EEEEEEE--E EEE----------EEEEEE-----------------------------E-----------EEEE------EEEEEE---- Query: 145 GFNLPTDHGENKEDFYFDMHPSVTRVRIPLKDASLDWNNRSLAPTDSLIALSDDLFKDDALIYELRGNDNKVSLRTDKNK 224 Sbjct: 161 YFRIEDIEG-----TMVSNLAGMKLYDQLLKESYVDKHP--------VVTFN----QETDVIYQNVSAERAIQIVDKG-V 222 EE------E EEE-----EEEE----EEEE----E E---- -EEEEE--------EEEEE--E E -EEEEEE----EEEEEE-- ----- EEEEE---------------------EEE----EEEEEEEEE Query: 225 FHVNVWTRDAPFVGIWSQY-----------PKTDN--YVCIEPWWGIADRDDADGDLEHKYGMNHLKPGKEFQAGFSMT 290 Sbjct: 223 QIHTLKRYNLPDTVVWNPWIEKSQGMADFEPKTGYQQMICIEPGHVHD--------------FISLAPGKKWNAYQLLC 287 EEEEEEE---EEEEEE-HHHHHHH------------EEEEEEEEEEEE EEE----EEEEEEEEE- 280 residues (91.21%) 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: 4.55% helical, 44.06% extended, 51.40% loops/other (query: 0.00% 40.07% 59.93%) 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. 2CIR_A not_found 77.77.77.31 NONE -81.970 0 1 91.21% 20.69% OPTM -647.864 -581.750 3.557 0.516 0.830 0.844 0.853 27.310 -75.2 3.620 55.000 -128.0 8.110 93.000 -219.5 -0.200 -10.680 -10.0 -0.380 0.140 -44.0 -0.500 -19.130 26.3 0.210 1.300 -30.3 2.580 -3.760 -59.4 5.980 6.980 -89.4 -30.000 20.000 -183.0 -30.000 12.000 -185.0 9.630 162.500 -128.5 25.350 186.000 -234.0 3.220 41.000 -117.0 10.390 63.000 -186.0 5.000 -25.3 -1.793 -17.4 0.000 -9.3e+061 5.000 -25.3 -0.119 -7.1 0.72 0.83 alignment source: OPTM +++ there is a problem with all-atom model, click here for details -EEEE--- -EEEEEE----EEEEEE------EEEE---------- -EEEEEEE-------EE-----EE-- Query: 1 MDYTIENN---MIKVVISDHGAEIQSVKSAHTDEEFMWQANPEIWGRH------APVLFPIVGRLKNDEYTYKGKTYHLG 71 Sbjct: 8 KEVVLTHPADETTSVHILKYGATVYSWKLKS--EEQLWLSTAAKLDGSKPVRGGIPLVFPVFGKNSTDEHLSK-----LP 80 EEEEEE--EEEEEEEEE----EEEEEEE--E E---------------------EE---------------- -- ---------EEEEE---- EEEEEEE----- -------EEEEEEEEE---EEEEEEEEEE-- ---EEEE----- Query: 72 QHGFARNADFEVENHTKE---SITFLLKDNEET---RKVYPFKFEFRVNYNLMNNLLEENFSVVNKS-DETMIFGVGGHP 144 Sbjct: 81 QHGLARNSTWEFLGQTKENPPTVQFGLKPEIANPELTKLWPMDYLLILTVELGSDYLKTAIEVENTSSSKELKFNWLFHT 160 ---------EEEEEEEE--EEEEEEE------HHHHHH-----EEEEEEEE----EEEEEEEE-------EEEEEEE--E EEE----------EEEEEE-----------------------------E-----------EEEE------EEEEEE---- Query: 145 GFNLPTDHGENKEDFYFDMHPSVTRVRIPLKDASLDWNNRSLAPTDSLIALSDDLFKDDALIYELRGNDNKVSLRTDKNK 224 Sbjct: 161 YFRIEDIEG-----TMVSNLAGMKLYDQLLKESYVDKHP--------VVTFN----QETDVIYQNVSAERAIQIVDKG-V 222 EE------E EEE-----EEEE----EEEE----- ----- -EEEEE--------EEEEE--E E -EEEEEE----EEEEEE-- ----- EEEEE---------------------EEE----EEEEEEEEE Query: 225 FHVNVWTRDAPFVGIWSQY-----------PKTDN--YVCIEPWWGIADRDDADGDLEHKYGMNHLKPGKEFQAGFSMT 290 Sbjct: 223 QIHTLKRYNLPDTVVWNPWIEKSQGMADFEPKTGYQQMICIEPGHVHD--------------FISLAPGKKWNAYQLLK 287 EEEEEEE---EEEEEE-HHHHHHH------------EEEEEEEEEEEE EEE----EEEEEEE--- 280 residues (91.21%) 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: 0.00% helical, 44.40% extended, 55.60% loops/other (query: 0.00% 40.07% 59.93%) SCOP classification: [All beta proteins]/[Supersandwich] 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. 1JOV_A b.30.5.7 215.17.14.1 NONE -82.067 0 1 80.13% 12.85% OPTM -685.072 -616.020 2.151 0.462 0.738 0.759 0.811 20.370 -63.8 0.760 -8.500 -14.5 1.070 0.000 -108.5 0.700 12.260 -0.3 0.420 0.810 -39.9 1.110 16.170 33.7 0.170 3.940 -23.1 4.410 20.230 -50.6 4.360 -3.310 -81.9 -30.000 29.000 -178.0 -30.000 7.000 -190.0 1.780 39.500 54.5 8.770 67.000 -112.0 -0.410 -21.000 -48.0 6.940 27.000 -156.0 5.000 -11.0 2.194 -32.1 43.000 315.0 5.000 -11.0 0.663 -1.1 0.51 0.91 alignment source: OPTM +++ there is a problem with all-atom model, click here for details EEE----EEEEEE----EEEEEE------EEEE---------- -EEEEEEE-------EE-----EE------- Query: 3 YTIENNMIKVVISDHGAEIQSVKSAHTDEEFMWQANPEIWGRH------APVLFPIVGRLKNDEYTYKGKTYHLGQHGFA 76 Sbjct: 24 LHLKHAVGTAKISLQGAQLISWKPQNAKQDVLWLSEVEPFKNGNAIRGGVPICYPWFGGVKQP------------AHGTA 91 EEEE--EEEEEE----EEEEEEE---------------------------EE----------- ----- ----EEEEE---- EEEEEEE------------EEEEEEEEE---EEEEEEEEEE-----EEEE-----EEE----- Query: 77 RNADFEVENHTKE----SITFLLKDNEETRKVYPFKFEFRVNYNLMNNLLEENFSVVNKSDETMIFGVGGHPGFNLPTDH 152 Sbjct: 92 RIRLWQLSHYYISVHKVRLEFELFSDLN-------IIEAKVSMVFTD---KCHLTFTHYGEESAQAALHT--YFNIGD-- 157 ----EEEEEEEE--EEEEEEEEE----- EEEEEEEEE--- EEEEEEE-----EEEEE--E EE---- -----EEEEEE-----------------------------E-----------EEEE------EEEEEE-----EEEEEE- Query: 153 GENKEDFYFDMHPSVTRVRIPLKDASLDWNNRSLAPTDSLIALSDDLFKDDALIYELRGNDNKVSLRTDKNKFHVNVWTR 232 Sbjct: 158 ---INQVEVQGLP----------ETCFNSLNQQQENVPSPRHISE----NVDCIYSAE--NMQNQILDKSFNRTIALHHH 218 --EEEE---- EEEE----EEEE---------- EEEEEE--- -EEEEEE----EEEEEEEE- ---EEEEEE------ -EEEEE---------------------EEE----EEEEEEEEE Query: 233 DAPFVGIWSQYPKTD---------NYVCIEPWWGIADRDDADGDLEHKYGMNHLKPGKEFQAGFSMT 290 Sbjct: 219 NASQFVLWNPWHKKTSGMSETGYQKMLCLETARIHH----------------LLEFGESLSVEISLK 269 --EEEEEE----------------EEEEEEEEEEEE E----EEEEEEEE-K 246 residues (80.13%) of query sequence aligned
DONE: Thu Aug 14 00:18:19 2008 EST