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 07:02:03 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 T0442
    --> 269 residues, sequence name: T0442
   Database: T:\CBSU\blastdb\20080108\nr

PDB structure 2PIF with significant sequence identity (77.56%) has been detected:
pdb|2PIF|A Chain A, Crystal Structure Of Upf0317 Protein Pspto_5379 From Pseudomonas Syringae Pv. Tomato. Northeast Structural Genomics Target Psr181 pdb|2PIF|B Chain B, Crystal Structure Of Upf0317 Protein Pspto_5379 From Pseudomonas Syringae Pv. Tomato. Northeast Structural Genomics Target Psr181 
This structure may be a good candidate for homology modeling procedure
   sequence_identity= 197/254 (77.56%) (length difference of  5.58%)

Query: 15  AARKARATYRDGLVAPTSGIAPGFTQANMIVLPRDWAFDFLLYAQRNPKPCPVLDVSDPG 74
           AAR+AR TYR+GLV PT+G+APG TQAN+I LPRDWA+DFLLYAQRNPK CP+LDVSD G
Sbjct: 14  AAREARGTYRNGLVTPTAGVAPGXTQANLIALPRDWAYDFLLYAQRNPKACPILDVSDAG 73

Query: 75  SPTTLLAPGADLRTDLPLYRIWRDGKLAEETADATSAWAERDDLVAFLIGCSFTFETPMV 134
           SPTTLLA G+DLRTD+P YRIWRDGKLAEE +DAT AWAE DD VAFLIGCSFTFETP+ 
Sbjct: 74  SPTTLLAEGSDLRTDIPXYRIWRDGKLAEEVSDATQAWAEHDDXVAFLIGCSFTFETPLQ 133

Query: 135 EAGIEIRHMTDKSNVPMYLTNRPCRPAGRLKGNMVVSMRPIPASRVADAATISGRFPAVH 194
           EAGIE+RH+TD  NVP Y TNR CRPAGRL G  VVS RPIPA RVA+A+ ISGR+P+VH
Sbjct: 134 EAGIEVRHITDGCNVPXYRTNRACRPAGRLHGEXVVSXRPIPADRVAEASAISGRYPSVH 193

Query: 195 GAPVHVGAPEQIGISDLSKPDFGDAVRIEPGEVPVFWACGVTPQAAVMASGVPFAITHAP 254
           GAPVH+G P ++GI+DLS+PDFGDAV I+PGEVPVFWACGVTPQAAV ASGVPFAITH+P
Sbjct: 194 GAPVHIGEPGRLGINDLSRPDFGDAVSIKPGEVPVFWACGVTPQAAVXASGVPFAITHSP 253

Query: 255 GHMFITDIPDTAYH 268
           G+ FITD+PD+ YH
Sbjct: 254 GYXFITDVPDSTYH 267




 -> 121 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 29 45 55 14 7 0 1
RESULTS secondary structure prediction shows 25.65% helical, 19.70% extended and 54.65% loops/other homologs/domains used: 0 query sequence T0442 all homologs found total number of entries processed: 125 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 2PIF_A not_found 43.43.43.43 NONE -70.126 0 1 87.73% 75.81% OPTM -731.495 -770.190 13.696 0.729 0.842 0.950 0.965 98.780 -124.9 49.120 1215.000 -1269.0 79.190 1185.000 -1320.0 0.690 7.220 -16.4 -0.280 -3.370 -50.4 20.750 113.550 -85.7 33.730 123.940 -149.8 22.410 87.730 -105.5 32.820 86.820 -147.5 -30.000 82.000 -180.0 -30.000 47.000 -186.0 47.670 1088.000 -1023.0 143.070 1012.000 -1065.0 7.970 83.000 -116.0 10.470 52.000 -155.0 5.000 -1.0 -12.942 -8.7 0.000 -9.3e+061 5.000 -1.0 0.146 -1.0 0.24 0.76 2 2QYX_A not_found 43.43.43.43 NONE -999.000 0 1 81.78% 10.59% OPTM -329.084 -599.440 0.808 0.524 0.365 0.708 0.811 12.870 -36.9 2.440 7.500 -8.5 0.090 -41.500 -71.0 0.820 5.400 7.0 -0.940 0.530 -48.1 1.210 7.300 43.5 -0.820 -4.630 -33.5 7.100 26.150 -8.8 3.380 -0.050 -46.3 -30.000 34.000 -115.0 -30.000 10.000 -127.0 3.660 27.500 13.0 3.320 16.000 -63.0 1.340 4.000 -22.0 -0.230 -12.000 -85.0 5.000 -0.3 0.913 -21.7 0.000 -9.3e+061 5.000 -0.3 0.204 0.1 0.06 0.70 3 2EAW_A not_found 43.43.43.43 NONE -999.000 0 1 84.39% 11.95% OPTM -253.966 -529.680 0.782 0.474 0.585 0.738 0.752 6.750 -35.1 -0.270 29.000 10.5 0.750 5.000 -86.0 -0.930 -4.180 -10.2 -0.150 3.550 -51.8 -0.930 -4.040 26.5 -1.080 -0.790 -27.9 0.100 -3.040 -17.9 3.970 -2.150 -51.5 -30.000 -10.000 -120.0 -30.000 -3.000 -132.0 0.900 10.500 53.0 0.080 -2.000 -43.0 3.340 39.000 -130.0 3.890 26.000 -149.0 5.000 -0.0 0.493 -18.5 0.000 -9.3e+061 5.000 0.0 0.869 -0.1 0.61 0.79 4 1I1Q_B c.23.16.1 52.8.1.1 NONE -999.000 0 1 66.17% 9.27% OPTM -417.817 -339.470 0.653 0.590 0.214 0.818 0.899 2.780 -30.4 1.320 38.000 84.0 2.290 21.000 -113.0 0.630 3.530 50.6 -1.910 -2.990 -35.5 0.710 6.720 91.9 -1.020 0.780 -23.9 2.050 4.190 51.4 5.190 -1.400 -50.6 -30.000 4.000 -65.0 -30.000 -6.000 -109.0 3.140 57.000 126.0 0.460 11.000 -45.0 0.420 6.000 68.0 4.510 17.000 -96.0 5.000 -1.2 -1.809 -21.1 0.000 -9.3e+061 5.000 -1.2 1.041 -1.4 0.10 0.84 5 c.2.1.2.48_A c.2.1.2 52.11.11.1 NONE -999.000 0 1 70.63% 9.36% OPTM -221.245 -254.860 0.591 0.496 0.307 0.720 0.741 -0.080 -28.8 0.910 -7.500 9.5 0.680 8.000 -103.0 0.220 9.760 19.1 0.900 9.090 -46.6 0.820 12.930 53.1 -0.630 2.260 -24.8 6.390 17.990 3.2 6.040 3.920 -54.7 -30.000 13.000 -94.0 -30.000 9.000 -119.0 2.160 -5.000 43.0 1.950 12.000 -68.0 1.240 13.000 27.0 2.080 23.000 -85.0 5.000 0.0 1.169 -19.0 0.000 -9.3e+061 5.000 0.0 -0.553 0.6 0.33 0.94 RMSD table between hits (RMSDs are shaded according to similarity, up to 10Å )

1

2

3

4

5

1

0.00

13.00

18.20

14.90

17.38

2

13.00

0.00

19.73

16.73

18.61

3

18.20

19.73

0.00

13.82

11.59

4

14.90

16.73

13.82

0.00

14.91

5

17.38

18.61

11.59

14.91

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

14.92

11.81

13.66

12.32

2

14.92

100.00

11.20

11.71

12.81

3

11.81

11.20

100.00

11.22

16.75

4

13.66

11.71

11.22

100.00

14.51

5

12.32

12.81

16.75

14.51

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

25.40

16.46

23.90

18.23

2

25.40

100.00

16.18

19.02

16.26

3

16.46

16.18

100.00

19.51

37.93

4

23.90

19.02

19.51

100.00

28.50

5

18.23

16.26

37.93

28.50

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: 18.93% helical, 14.40% extended, 66.67% loops/other (query: 25.65% 19.70% 54.65%)

  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.
2PIF_A               not_found     43.43.43.43            NONE   -70.126     0       1  87.73%  75.81%   OPTM     -731.495     -770.190       13.696        0.729        0.842        0.950        0.965     98.780    -124.9    49.120  1215.000   -1269.0    79.190  1185.000   -1320.0     0.690     7.220     -16.4    -0.280    -3.370     -50.4    20.750   113.550     -85.7    33.730   123.940    -149.8    22.410    87.730    -105.5    32.820    86.820    -147.5   -30.000    82.000    -180.0   -30.000    47.000    -186.0    47.670  1088.000   -1023.0   143.070  1012.000   -1065.0     7.970    83.000    -116.0    10.470    52.000    -155.0     5.000      -1.0   -12.942      -8.7     0.000 -9.3e+061     5.000      -1.0     0.146      -1.0    0.24  0.76

alignment source: OPTM
 +++ there is a problem with all-atom model, click here for details
            HHHHHHHHHH--------------EEEEEEE-HHHHHHHHHHHH------EEEEE---------------------EEEE
Query:   16 ARKARATYRDGLVAPTSGIAPGFTQANMIVLPRDWAFDFLLYAQRNPKPCPVLDVSDPGSPTTLLAPGADLRTDLPLYRI   95
Sbjct:   15 AREARGTYRNGLVTPTAGVAPG-TQANLIALPRDWAYDFLLYAQRNPKACPILDVSDAGSPTTLLAEGSDLRTDIP-YRI   92
            HHHHHHHH-------------- --EEEE--HHHHHHHHHHHHH------EEEE---------------------- EEE

            EE--EEE--HHHHHHHHHH----EEEEE-----HHHHHHH---------------EEEE-------------EEEEE---
Query:   96 WRDGKLAEETADATSAWAERDDLVAFLIGCSFTFETPMVEAGIEIRHMTDKSNVPMYLTNRPCRPAGRLKGNMVVSMRPI  175
Sbjct:   93 WRDGKLAEEVSDATQAWAEHDD-VAFLIGCSFTFETPLQEAGIEVRHITDGCNVP-YRTNRACRPAGRLHGE--VVSRPI  168
            E--EEEEE-------------- EEEE------HHHHHHH----HHHH------- ----------------  ---EEE

            -HHHHHHHHHHHH---------EE---HHH--HHH---------EEE----EEEEE-----HHHHHHH----EEEE----
Query:  176 PASRVADAATISGRFPAVHGAPVHVGAPEQIGISDLSKPDFGDAVRIEPGEVPVFWACGVTPQAAVMASGVPFAITHAPG  255
Sbjct:  169 PADRVAEASAISGR----HGAPVHIGEPGRLGINDLSRPDFGDAVSIKPGEVPVFWACGVTPQAAVA-SGVPFAITHSPG  243
            ---HHHHHHHHH--    ----EE-------------------------EEEEE-----HHHHH--- ---EEEE-----

            -EEEE---
Query:  256 HMFITDIP  263
Sbjct:  244 Y-FITDVP  250
            - -----P

236 residues (87.73%) 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: 24.66% helical, 33.79% extended, 41.55% loops/other (query: 25.65% 19.70% 54.65%) 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. 2QYX_A not_found 43.43.43.43 NONE -999.000 0 1 81.78% 10.59% OPTM -329.084 -599.440 0.808 0.524 0.365 0.708 0.811 12.870 -36.9 2.440 7.500 -8.5 0.090 -41.500 -71.0 0.820 5.400 7.0 -0.940 0.530 -48.1 1.210 7.300 43.5 -0.820 -4.630 -33.5 7.100 26.150 -8.8 3.380 -0.050 -46.3 -30.000 34.000 -115.0 -30.000 10.000 -127.0 3.660 27.500 13.0 3.320 16.000 -63.0 1.340 4.000 -22.0 -0.230 -12.000 -85.0 5.000 -0.3 0.913 -21.7 0.000 -9.3e+061 5.000 -0.3 0.204 0.1 0.06 0.70 alignment source: OPTM +++ there is a problem with all-atom model, click here for details ----HHHHHHHHHH--------------EEEEEEE-H HHHHHHHHHHH------EEEEE------------------ Query: 12 DAEAARKARATYRDGLVAPTSGIAPGFTQANMIVLPR---DWAFDFLLYAQRNPKPCPVLDVSDPGSPTTLLAPGADLRT 88 Sbjct: 321 RIKTALSKMFNAMAKVTYDIDE-ADGDVIVNTAFIDKKYLDEAFDILKEAYKKG-----LGISD---------------- 378 ----HHHHHHHHH--------- ---EEEEEEEEEE---HHHHHHHHHHHHH-- ----- ---EEEEEE--EEE--HHHHHHHHHH----EEEEE-----HHHHHHH----- ----------EEEE----- Query: 89 DLPLYRIWRDGKLAEETADATSAWAERDDLVAFLIGCSFTFETPMVEAGIEI--------RHMTDKSNVPMYLTNRPCR- 159 Sbjct: 379 ---RFGIVEEN-----------------DRIKIQTICAVTLDGIFLRNSVPLIPKYGGILEITEDKERFIDIIGYDGSSL 438 EEEEEE-- -EEEEEEE--HHHHHHHHH-----EEEEEEEEEE----EEEEEEEE------ --------EEEEE----HHHHHHHHHHHH---------EE---HHH--HHH---------EEE----EEEEE- Query: 160 -------PAGRLKGNMVVSMRPIPASRVADAATISGRFPAVHGAPVHVGAPEQIGISDLSKPDFGDAVRIEPGEVPVFWA 232 Sbjct: 439 DPHEVFFNFVDCEKTFLAGFREVHRVAREKLEEVLKKLN-WNGIKAIGE---------PNNELYG--IGVNKDMCGVVTM 506 -HHHH---------EEEEEEEEEE---HHHHHHHHHHH- ---EEEE-- ------- ------EEEEEEE ----HHHHHHH----EEEE-----EEEE------ Query: 233 CGVTPQAAVMASGVPFAITHAPGHMFITDIPDTA 266 Sbjct: 507 GGINPLVLLKENEIPIELKAMHEVVRFSDLKSYK 540 ---HHHHHHHH-----EEEEEEEEEE----EE-- 220 residues (81.78%) 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: 35.09% helical, 18.86% extended, 46.05% loops/other (query: 25.65% 19.70% 54.65%) 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. 2EAW_A not_found 43.43.43.43 NONE -999.000 0 1 84.39% 11.95% OPTM -253.966 -529.680 0.782 0.474 0.585 0.738 0.752 6.750 -35.1 -0.270 29.000 10.5 0.750 5.000 -86.0 -0.930 -4.180 -10.2 -0.150 3.550 -51.8 -0.930 -4.040 26.5 -1.080 -0.790 -27.9 0.100 -3.040 -17.9 3.970 -2.150 -51.5 -30.000 -10.000 -120.0 -30.000 -3.000 -132.0 0.900 10.500 53.0 0.080 -2.000 -43.0 3.340 39.000 -130.0 3.890 26.000 -149.0 5.000 -0.0 0.493 -18.5 0.000 -9.3e+061 5.000 0.0 0.869 -0.1 0.61 0.79 alignment source: OPTM +++ there is a problem with all-atom model, click here for details ---HHHHH------ HHHHHHHHHH--------------EEEEEEE-HHHHHHHHHHHH- -----EEEEE-------- Query: 2 TIPTSYLNHTDAEA--ARKARATYRDGLVAPTSGIAPGFTQANMIVLPRDWAFDFLLYAQR-NPKPCPVLDVSDPGSPTT 78 Sbjct: 35 ELSFGARAELPRIHPVASKLLRLMQKKET------------NLCLSADVSLARELLQLADALGPSICMLKTHVDILNDFT 102 ---HHHHH------HHHHHHHHHHHHH-- -EEEE-----HHHHHHHHHHH-----EEEE--------- - ------------EEEEEE--EEE--HHHHHHHHHH-- --EEEEE-----HHHHHHH-------- Query: 79 L--------LAPGADLRTDLPLYRIWRDGKLAEETADATSAWAERD-------DLVAFLIGCSFTFETPMVEAGIEIRHM 143 Sbjct: 103 LDVMKELITLAKCHEF-------LIFEDRKFADIGNTVKKQYEGGIFKIASWADLVNAHVVPGSGVVKGLQEVGLPL--- 172 HHHHHHHHHHHHHH-- EEEEEEEE---HHHHHHHHH-----------EEEEE-----HHHHHHHHHH--- -------EEEE-------------EEEEE----HHHHHHHHHHHH---------EE---HHH--HHH---------EEE- Query: 144 TDKSNVPMYLTNRPCRPAGRLKGNMVVSMRPIPASRVADAATISGRFPAVHGAPVHVGAPEQIGISDLSKPDFGDAVRIE 223 Sbjct: 173 ----HRGCLLIAEMSSTGSLA-----------TGDYTRAAVRMAEEHSEF-VVGFISG----------------SRVSMK 220 --EEEEE---------- -HHHHHHHHHHHH----- EEEEE-- ------ ---EEEEE---- -HHHHHHH----EEEE- Query: 224 PGEVPVFWACGV------------TPQAAVMASGVPFAITH 252 Sbjct: 221 PEFLHLTPGVQLEAGGDNLGQQYNSPQEVIGKRGSDIIIVG 261 ---EEEE-------EE-----EE--HHHHH------EEEE- 227 residues (84.39%) 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: 24.86% helical, 27.03% extended, 48.11% loops/other (query: 25.65% 19.70% 54.65%) SCOP classification: [Alpha and beta proteins (a/b)]/[Flavodoxin-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. 1I1Q_B c.23.16.1 52.8.1.1 NONE -999.000 0 1 66.17% 9.27% OPTM -417.817 -339.470 0.653 0.590 0.214 0.818 0.899 2.780 -30.4 1.320 38.000 84.0 2.290 21.000 -113.0 0.630 3.530 50.6 -1.910 -2.990 -35.5 0.710 6.720 91.9 -1.020 0.780 -23.9 2.050 4.190 51.4 5.190 -1.400 -50.6 -30.000 4.000 -65.0 -30.000 -6.000 -109.0 3.140 57.000 126.0 0.460 11.000 -45.0 0.420 6.000 68.0 4.510 17.000 -96.0 5.000 -1.2 -1.809 -21.1 0.000 -9.3e+061 5.000 -1.2 1.041 -1.4 0.10 0.84 alignment source: OPTM -EEEEEEE-HHHHHHHHHHHH------EEEEE---------------------EEEEEE--EEE--HHHHHHHHHH---- Query: 39 TQANMIVLPRDWAFDFLLYAQRNPKPCPVLDVSDPGSPTTLLAPGADLRTDLPLYRIWRDGKLAEETADATSAWAERDDL 118 Sbjct: 1 ADILLLDNIDSFTWNLADQLRTNG--HNVVIYRNHIPAQTLIDRLATMKN--PVLMLSPGPGVPSEAGCMPELLTRLRGK 76 -EEEEEE-----HHHHHHHHHH-- -EEEEEE-----HHHHHHH----- EEEEE------------HHHHHHHH--- EEEEE-----HHHHHHH---------------EEEE-------------EEEEE----HHHHHHHHHHHH---------E Query: 119 VAFLIGCSFTFETPMVEAGIEIRHMTDKSNVPMYLTNRPCRPAGRLKGNMVVSMRPIPASRVADAATISGRFPAVHGAPV 198 Sbjct: 77 LPIIGIC-LGHQAIVEAYGGYVGQILHGKATSIEHDGQAMFAG--LANPLPVARYHSS------------NVPAGLTINA 141 --EEEE- HHHHHHHHH-----------EEEEEEE-------- ----EEEEE---- ------EEEE E---HHH--HHH---------EEE----EEEEE----- HHHHHHH Query: 199 HVGAPEQIGISDLSKPDFGDAVRIEPGEVPVFWACGVT-----PQAAVMA 243 Sbjct: 142 HFN-------------GMVMAVRHDADRVCGFQFHPESILTTQGARLLEQ 178 EE- -EEEEEEE----EEEE-----------HHHHHHH 178 residues (66.17%) 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: 27.94% helical, 20.59% extended, 51.47% loops/other (query: 25.65% 19.70% 54.65%) 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.2.1.2.48_A c.2.1.2 52.11.11.1 NONE -999.000 0 1 70.63% 9.36% OPTM -221.245 -254.860 0.591 0.496 0.307 0.720 0.741 -0.080 -28.8 0.910 -7.500 9.5 0.680 8.000 -103.0 0.220 9.760 19.1 0.900 9.090 -46.6 0.820 12.930 53.1 -0.630 2.260 -24.8 6.390 17.990 3.2 6.040 3.920 -54.7 -30.000 13.000 -94.0 -30.000 9.000 -119.0 2.160 -5.000 43.0 1.950 12.000 -68.0 1.240 13.000 27.0 2.080 23.000 -85.0 5.000 0.0 1.169 -19.0 0.000 -9.3e+061 5.000 0.0 -0.553 0.6 0.33 0.94 alignment source: OPTM +++ there is a problem with all-atom model, click here for details -----------EEEEEEE- HHHHHHHHHHHH------EEEEE---------------------EEEEEE--EEE-- Query: 29 APTSGIAPGFTQANMIVLP----RDWAFDFLLYAQRNPKPCPVLDVSDPGSPTTLLAPGADLRTDLPLYRIWRDGKLAEE 104 Sbjct: 1461 PTGAGEPARLDGTWLVAKYAGTADETSTAAREALESAGA---------------------------RVRELVVDARCG-- 1511 -----------EEEEEE-----HHHHHHHHHHHH----E EEEEE------H HHHHHHHHHH----EEEEE---- -HHHHHHH---------------EEEE-------- Query: 105 TADATSAWAERDDLVAFLIGCSF-------------------TFETPMVEAGIEIRHMTDKSNVPMYLTNRPCRPAG--- 162 Sbjct: 1512 RDELAERLRSVGEVAGVLSLLAVDEAEPEEAPLALASLADTLSLVQAMVSAEL---------GCPLWTVTESAVATGPFE 1582 HHHHHHH-------EEEE----------------HHHHHHHHHHHHHHH---- --EEEEEE---------- -----EEEEE----HHHHHHHHHHHH---------EE--- HHH--HHH---------EEE----EEEEE Query: 163 RLKGNMVVSMRPIPASRVADAATISGRFPAVHGAPVHVGA------PEQIGISDLSKPDFGDAVRIEPGEVPVFW 231 Sbjct: 1583 RVRN-------AAHGALWGVGRVIALENPAVWGGLVDVPAGSVAELARHLAAVVSGGAGEDQLALRADGVYGRRW 1650 ---- --HHHHHHHHHHHHH----EEEEEEE-------HHHHHHHHH-------EEEEE--EEEEEEEE 190 residues (70.63%) of query sequence aligned
DONE: Sun Aug 17 11:52:55 2008 EST