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 07 18:57:31 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  = 200      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 T0394
    --> 275 residues, sequence name: T0394
   Database: T:\CBSU\blastdb\20080108\nr


 -> 7 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 10 1 2 2 1 2 3 4
5 dynamic database entries created: 1E59_A 1E58_A 1QHF_A 4PGM_A 5PGM_E RESULTS secondary structure prediction shows 45.82% helical, 12.00% extended and 42.18% loops/other homologs/domains used: 0 query sequence T0394 all homologs found total number of entries processed: 205 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 1YFK_A not_found 34.34.34.34 NONE -72.195 0 1 88.36% 20.22% OPTM -857.368 -607.120 4.842 0.487 0.762 0.875 0.961 46.910 -70.5 7.350 174.000 -167.5 10.920 135.500 -213.5 0.480 4.090 -7.9 0.650 5.920 -54.6 0.280 -1.160 28.9 -0.250 1.590 -38.9 5.560 15.530 -35.2 12.870 16.530 -82.1 -30.000 39.000 -170.0 -30.000 31.000 -178.0 15.620 322.000 -231.0 40.740 242.000 -283.0 6.150 59.000 -130.0 8.230 52.000 -157.0 5.000 -49.3 0.354 -20.1 60.000 356.0 5.000 -49.7 0.833 -6.2 0.27 0.87 2 1EBB_A c.60.1.1 55.17.17.14 NONE -72.260 0 1 71.64% 21.34% OPTM -701.625 -493.430 4.429 0.507 0.434 0.754 0.942 38.750 -64.0 7.320 162.500 -88.0 11.400 138.000 -225.0 0.260 1.120 29.8 -0.010 -1.410 -42.2 1.330 3.010 64.9 2.040 4.920 -30.9 8.670 18.220 6.7 14.580 22.850 -78.9 -30.000 41.000 -118.0 -30.000 21.000 -142.0 15.520 310.000 -174.0 39.310 273.000 -316.0 6.610 37.000 -35.0 8.530 45.000 -151.0 5.000 -41.2 -0.159 -18.7 0.000 -9.3e+061 5.000 -41.2 -0.328 -10.7 0.19 0.68 3 1T8P_A c.60.1.1 55.17.17.14 NONE -72.377 0 1 88.00% 21.59% OPTM -729.954 -294.330 4.665 0.496 0.654 0.878 0.931 40.720 -70.5 7.840 164.500 -176.5 10.020 119.500 -212.5 -0.650 1.450 -7.4 -0.060 0.270 -52.2 0.550 8.490 20.8 0.980 3.180 -34.4 8.300 35.080 -54.4 13.890 20.650 -89.4 -30.000 58.000 -177.0 -30.000 35.000 -183.0 15.750 297.000 -237.0 33.700 244.000 -286.0 6.330 62.000 -142.0 8.450 45.000 -164.0 5.000 -42.0 0.266 -17.4 -25.000 396.0 5.000 -42.2 0.255 -7.0 0.30 0.81 4 1E59_A c.60.1.1 55.17.17.14 NONE -72.410 0 1 85.82% 20.91% OPTM -818.553 -263.420 4.131 0.490 0.452 0.854 0.939 49.900 -71.9 10.570 224.500 -218.0 12.810 183.500 -263.0 0.870 8.360 -5.1 0.140 -0.430 -45.4 0.750 7.910 30.4 0.530 -2.400 -29.5 7.540 29.290 -38.9 12.030 15.380 -75.7 -30.000 41.000 -161.0 -30.000 27.000 -170.0 11.630 279.000 -150.0 26.750 161.000 -201.0 7.980 71.000 -131.0 9.220 55.000 -160.0 5.000 -53.3 -0.408 -15.6 0.000 -9.3e+061 5.000 -53.3 -0.252 -10.0 0.25 0.87 5 5PGM_E c.60.1.1 55.17.17.14 NONE -72.445 0 1 82.18% 22.89% OPTM -699.561 -358.600 3.189 0.384 0.530 0.815 0.862 42.420 -67.2 9.770 215.000 -178.0 14.990 171.500 -256.0 -0.710 7.600 8.4 1.610 7.460 -51.2 -0.040 16.100 40.4 2.020 8.230 -33.6 0.800 6.440 -12.4 0.030 -0.640 -54.9 -30.000 0.000 -76.0 -30.000 0.000 -101.0 11.610 290.000 -120.0 30.620 158.000 -199.0 8.980 80.000 -132.0 10.100 68.000 -170.0 5.000 -50.2 -0.412 -19.3 0.000 -9.3e+061 5.000 -50.2 0.556 -8.4 0.41 -0.16 RMSD table between hits (RMSDs are shaded according to similarity, up to 10Å )

1

2

3

4

5

1

0.00

14.56

4.41

5.72

6.11

2

14.56

0.00

14.32

15.11

14.31

3

4.41

14.32

0.00

4.90

5.98

4

5.72

15.11

4.90

0.00

7.56

5

6.11

14.31

5.98

7.56

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

47.83

48.29

47.91

50.20

2

47.83

100.00

47.83

47.83

47.79

3

48.29

47.83

100.00

50.19

50.60

4

47.91

47.83

50.19

100.00

49.80

5

50.20

47.79

50.60

49.80

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

49.80

100.00

100.00

86.75

2

49.80

100.00

51.38

51.78

49.80

3

100.00

51.38

100.00

100.00

100.00

4

100.00

51.78

100.00

100.00

54.22

5

86.75

49.80

100.00

54.22

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: 40.50% helical, 10.74% extended, 48.76% loops/other (query: 45.82% 12.00% 42.18%)

  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.
1YFK_A               not_found     34.34.34.34            NONE   -72.195     0       1  88.36%  20.22%   OPTM     -857.368     -607.120        4.842        0.487        0.762        0.875        0.961     46.910     -70.5     7.350   174.000    -167.5    10.920   135.500    -213.5     0.480     4.090      -7.9     0.650     5.920     -54.6     0.280    -1.160      28.9    -0.250     1.590     -38.9     5.560    15.530     -35.2    12.870    16.530     -82.1   -30.000    39.000    -170.0   -30.000    31.000    -178.0    15.620   322.000    -231.0    40.740   242.000    -283.0     6.150    59.000    -130.0     8.230    52.000    -157.0     5.000     -49.3     0.354     -20.1    60.000     356.0     5.000     -49.7     0.833      -6.2    0.27  0.87

alignment source: OPTM
 +++ there is a problem with all-atom model, click here for details
            -EEEEEEE----HHHHH-------------HHHHHHHHHHHHHHH--  ---EEEE--HHHHHHHHHHHHHH-------E
Query:    8 RFALTVVRHGETRFNKEKIIQGQGVDEPLSETGFKQAAAAGIFLNNV--KFTHAFSSDLMRTKQTMHGILERSKFCKDMT   85
Sbjct:    3 AYKLVLIRHGESAWNLENRFSGW-YDADLSPAGHEEAKRGGQALRDAGYEFDICFTSVQKRAIRTLWTVLDAIDQM-WLP   80
            -EEEEEEE--------------- ------HHHHHHHHHHHHHHHHH-----EEEE---HHHHHHHHHHHHH---- ---

            EEE-HHHHHH---------HHHHHHHH     HHHHH------------HHHHHHHHHHHHHHHHHHHHHH---------
Query:   86 VKYDSRLRERKYGVVEGKALSELRAMA-----KAAREECPVFTPPGGETLDQVKMRGIDFFEFLCQLILKEADQKEQFSQ  160
Sbjct:   81 VVRTWRLNERHYGGLTGLNKAETAAKHGEAQVKIWRRSYDVPPPPMEPDH--------PFYSNISKDRRYADLTEDQLPS  152
            EEE----------------HHHHHHHH-HHHHHHHHH-------------        --HHHHH---------------

            ---HHHHHHHHHHHHHHHHHHHHHHHHH--------EEEEEE--HHHHHHHHHHH------------HHHHH--------
Query:  161 GSPSNCLETSLAEIFPLGKNHSSKVNSDSGIPGLAASVLVVSHGAYMRSLFDYFLTDLKCSLPATLSRSELMSVTPNTGM  240
Sbjct:  153 CES---LKDTIARALPFWNEEIVPQIKEG------KRVLIAAHGNSLRGIVKHLEG---------LSEEAIMELNLPTGI  214
            ---   HHHHHHHHHHHHHHHHHHHHH--      --EEEEE-HHHHHHHHHHHH-         --HHHHH--------

            EEEEEE----------EEEEEE--HHHHHH----
Query:  241 SLFIINFEEGREVKPTVQCICMNLQDHLNGLTET  274
Sbjct:  215 PIVYELDKNLKPIKP---MQFLGDEETVRKAMEA  245
            -EEEEE---------   -EE---HHHHHHHH--

243 residues (88.36%) 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: 35.86% helical, 18.18% extended, 45.96% loops/other (query: 45.82% 12.00% 42.18%) SCOP classification: [Alpha and beta proteins (a/b)]/[Phosphoglycerate mutase-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. 1EBB_A c.60.1.1 55.17.17.14 NONE -72.260 0 1 71.64% 21.34% OPTM -701.625 -493.430 4.429 0.507 0.434 0.754 0.942 38.750 -64.0 7.320 162.500 -88.0 11.400 138.000 -225.0 0.260 1.120 29.8 -0.010 -1.410 -42.2 1.330 3.010 64.9 2.040 4.920 -30.9 8.670 18.220 6.7 14.580 22.850 -78.9 -30.000 41.000 -118.0 -30.000 21.000 -142.0 15.520 310.000 -174.0 39.310 273.000 -316.0 6.610 37.000 -35.0 8.530 45.000 -151.0 5.000 -41.2 -0.159 -18.7 0.000 -9.3e+061 5.000 -41.2 -0.328 -10.7 0.19 0.68 alignment source: OPTM +++ there is a problem with all-atom model, click here for details -EEEEEEE----HHHHH-------------HHHHHHHHHHHHHHH-----EEEE--HHHHHHHHHHHHHH-------EEE Query: 8 RFALTVVRHGETRFNKEKIIQGQGVDEPLSETGFKQAAAAGIFLNNVKFTHAFSSDLMRTKQTMHGILERSKFCKDMTVK 87 Sbjct: 2 ATTLYLTRHGETKWNVERRMQGWQ-DSPLTEKGRQDAMRLGKRLEAVELAAIYTSTSGRALETAEIVRGG----RLIPIY 76 -EEEEEEE----HHHH-------- -----HHHHHHHHHHHHH-------EEEE---HHHHHHHHHHH-- ----EE E-HHHHHH---------HHHHH HHHHHHHH------------HHHHHHHHHHHHHHHHHHHHHH------------ Query: 88 YDSRLRERKYGVVEGKALSELR----AMAKAAREECPVFTPPGGETLDQVKMRGIDFFEFLCQLILKEADQKEQFSQGSP 163 Sbjct: 77 QDERLREIHLGDWEGKTHDEIRQMDPIAFDHFWQAPHLYAPQRGERFCDVQQRALEAVQSIVDRH--------------- 141 E----------------HHHHH---HHHHHHHHH------------HHHHHHHHHHHHHHHHH-- HHHHHHHHHHHHHHHHHHHHHHHHH--------EEEEEE--HHHHHHHHHHH------------HHHHH--------EEE Query: 164 SNCLETSLAEIFPLGKNHSSKVNSDSGIPGLAASVLVVSHGAYMRSLFDYFLTDLKCSLPATLSRSELMSVTPNTGMSLF 243 Sbjct: 142 ----------------------------EG--ETVLIVTHGVVLKTLMAAFKDTPLDHLW---------SPPYMYGTSVT 182 -- -EEEEEE-HHHHHHHHHHHH-------- ---------EE EEE----------EEEE Query: 244 IINFEEGREVKPTVQCI 260 Sbjct: 183 IIEVDGG-TFHVAVEGD 198 EEEEE-- EEEEEEEEE 197 residues (71.64%) 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: 37.86% helical, 10.70% extended, 51.44% loops/other (query: 45.82% 12.00% 42.18%) SCOP classification: [Alpha and beta proteins (a/b)]/[Phosphoglycerate mutase-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. 1T8P_A c.60.1.1 55.17.17.14 NONE -72.377 0 1 88.00% 21.59% OPTM -729.954 -294.330 4.665 0.496 0.654 0.878 0.931 40.720 -70.5 7.840 164.500 -176.5 10.020 119.500 -212.5 -0.650 1.450 -7.4 -0.060 0.270 -52.2 0.550 8.490 20.8 0.980 3.180 -34.4 8.300 35.080 -54.4 13.890 20.650 -89.4 -30.000 58.000 -177.0 -30.000 35.000 -183.0 15.750 297.000 -237.0 33.700 244.000 -286.0 6.330 62.000 -142.0 8.450 45.000 -164.0 5.000 -42.0 0.266 -17.4 -25.000 396.0 5.000 -42.2 0.255 -7.0 0.30 0.81 alignment source: OPTM +++ there is a problem with all-atom model, click here for details --EEEEEEE----HHHHH-------------HHHHHHHHHHHHHHH-- ---EEEE--HHHHHHHHHHHHHH------- Query: 7 ARFALTVVRHGETRFNKEKIIQGQGVDEPLSETGFKQAAAAGIFLNNV--KFTHAFSSDLMRTKQTMHGILERSKFCKDM 84 Sbjct: 2 SKYKLIMLRHGEGAWNKENRFCSW-VDQKLNSEGMEEARNCGKQLKALNFEFDLVFTSVLNRSIHTAWLILEELGQ-EWV 79 --EEEEEEE----HHHH------- ------HHHHHHHHHHHHHHH-------EEEE---HHHHHHHHHHHHHH-- --- EEEE-HHHHHH---------HHHHHH HHHHHHH------------HHHHHHHHHHHHHHHHHHHHHH-- ----- Query: 85 TVKYDSRLRERKYGVVEGKALSELRA-----MAKAAREECPVFTPPGGETLDQVKMRGIDFFEFLCQLILKEAD-QKEQF 158 Sbjct: 80 PVESSWRLNERHYGALIGLNREQMALNHGEEQVRLWRRSYNVTPPPIEESHPYYQEIYND----------RRYKVCDVPL 149 -EEE----------------HHHHHHHH-HHHHHHHHH---------------HHHHH-- ---------- -----HHHHHHHHHHHHHHHHHHHHHHHHH--------EEEEEE--HHHHHHHHHHH------------HHHHH------ Query: 159 SQGSPSNCLETSLAEIFPLGKNHSSKVNSDSGIPGLAASVLVVSHGAYMRSLFDYFLTDLKCSLPATLSRSELMSVTPNT 238 Sbjct: 150 DQLPRSESLKDVLERLLPYWNERIAPEVLRG------KTILISAHGNSSRALLKHLEG---------ISDEDIINITLPT 214 --------HHHHHHHHHHHHHH--HHHH--- --EEEEE-HHHHHHHHHHHH- ------------- --EEEEEE----------EEEEEE--HHHHHH Query: 239 GMSLFIINFEEGREVKPTVQCICMNLQDHLNG 270 Sbjct: 215 GVPILLELDENLRAVGPH---QFLGDQEAIQA 243 ---EEEEE---------- EE---HHHHHH 242 residues (88.00%) 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: 40.08% helical, 12.66% extended, 47.26% loops/other (query: 45.82% 12.00% 42.18%) SCOP classification: [Alpha and beta proteins (a/b)]/[Phosphoglycerate mutase-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. 1E59_A c.60.1.1 55.17.17.14 NONE -72.410 0 1 85.82% 20.91% OPTM -818.553 -263.420 4.131 0.490 0.452 0.854 0.939 49.900 -71.9 10.570 224.500 -218.0 12.810 183.500 -263.0 0.870 8.360 -5.1 0.140 -0.430 -45.4 0.750 7.910 30.4 0.530 -2.400 -29.5 7.540 29.290 -38.9 12.030 15.380 -75.7 -30.000 41.000 -161.0 -30.000 27.000 -170.0 11.630 279.000 -150.0 26.750 161.000 -201.0 7.980 71.000 -131.0 9.220 55.000 -160.0 5.000 -53.3 -0.408 -15.6 0.000 -9.3e+061 5.000 -53.3 -0.252 -10.0 0.25 0.87 alignment source: OPTM +++ there is a problem with all-atom model, click here for details -EEEEEEE----HHHHH-------------HHHHHHHHHHHHHHH- ----EEEE--HHHHHHHHHHHHHH-------E Query: 8 RFALTVVRHGETRFNKEKIIQGQGVDEPLSETGFKQAAAAGIFLNN--VKFTHAFSSDLMRTKQTMHGILERSKFCKDMT 85 Sbjct: 2 VTKLVLVRHGESQWNKENRFTGWY-DVDLSEKGVSEAKAAGKLLKEEGYSFDFAYTSVLKRAIHTLWNVLDELDQ-AWLP 79 -EEEEEEE----HHHH-------- -----HHHHHHHHHHHHHHHH------EEEE---HHHHHHHHHHHHHH-- ---- EEE-HHHHHH---------HHHHHH HHHHHHH------------HHHHHHHHHHHHHHHHHHHHHH-------- Query: 86 VKYDSRLRERKYGVVEGKALSELRA-----MAKAAREECPVFTPPGGETLDQVKMRGIDFFEFLCQLILKEADQKEQFS- 159 Sbjct: 80 VEKSWKLNERHYGALQGLNKAETAEKYGDEQVKQWRRGFAVTPPELTKDDERYP---------------GHDPRYAKLSE 144 EEE----------------HHHHHHHH-HHHHHHHHH----------------- ----------- ----HHHHHHHHHHHHHHHHHHHHHHHHH--------EEEEEE--HHHHHHHHHHH------------HHHHH------ Query: 160 -QGSPSNCLETSLAEIFPLGKNHSSKVNSDSGIPGLAASVLVVSHGAYMRSLFDYFLTDLKCSLPATLSRSELMSVTPNT 238 Sbjct: 145 KELPLTESLALTIDRVIPYWNETILPRMKSG------ERVIIAAHGNSLRALVKYLDN---------MSEEEILELNIPT 209 --------HHHHHHHHHHHHHH-HHHHHH-- --EEEEE-HHHHHHHHHHH-- --HHHHHH----- --EEEEEE----------EEEEEE--HHHHHH Query: 239 GMSLFIINFEEGREVKPTVQCICMNLQDHLNG 270 Sbjct: 210 GVPLVYEFDENFK----PLKRYYLGNADEIAA 237 ---EEEEE----- EEEEEE---HHHHHH 236 residues (85.82%) 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, 0.00% extended, 100.00% loops/other (query: 45.82% 12.00% 42.18%) SCOP classification: [Alpha and beta proteins (a/b)]/[Phosphoglycerate mutase-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. 5PGM_E c.60.1.1 55.17.17.14 NONE -72.445 0 1 82.18% 22.89% OPTM -699.561 -358.600 3.189 0.384 0.530 0.815 0.862 42.420 -67.2 9.770 215.000 -178.0 14.990 171.500 -256.0 -0.710 7.600 8.4 1.610 7.460 -51.2 -0.040 16.100 40.4 2.020 8.230 -33.6 0.800 6.440 -12.4 0.030 -0.640 -54.9 -30.000 0.000 -76.0 -30.000 0.000 -101.0 11.610 290.000 -120.0 30.620 158.000 -199.0 8.980 80.000 -132.0 10.100 68.000 -170.0 5.000 -50.2 -0.412 -19.3 0.000 -9.3e+061 5.000 -50.2 0.556 -8.4 0.41 -0.16 alignment source: OPTM +++ there is a problem with all-atom model, click here for details EEEEEE----HHHHH-------------HHHHHHHHHHHHHHH---- -EEEE--HHHHHHHHHHHHHH-------EEE Query: 10 ALTVVRHGETRFNKEKIIQGQGVDEPLSETGFKQAAAAGIFLNNVKF--THAFSSDLMRTKQTMHGILERSKFCKDMTVK 87 Sbjct: 2 KLVLVRHGQSEWNEKNLFTGW-VDVKLSAKGQQEAARAGELLKEKKVYPDVLYTSKLSRAIQTANIALEKADRLW-IPVN 79 --------------------- ----------------------------------------------------- ---- E-HHHHHH---------HHHHHH HHHHHHH------------HHHHHHHHHHHHHHHHHHHHHH---- ----- Query: 88 YDSRLRERKYGVVEGKALSELRA-----MAKAAREECPVFTPPGGETLDQVKMRGIDFFEFLCQLILKEADQK--EQFSQ 160 Sbjct: 80 RSWRLNERHYGDLQGKDKAETLKKFGEEKFNTYRRSFDVPPPPIDASSP--------------------FSQKGDERYKY 139 ------------------------------------------------- ----------- --- HHHHHHHHHHHHHHHHHHHHHHHHH--------EEEEEE--HHHHHHHHHHH------------HHHHH--- Query: 161 GSP-----SNCLETSLAEIFPLGKNHSSKVNSDSGIPGLAASVLVVSHGAYMRSLFDYFLTDLKCSLPATLSRSELMSVT 235 Sbjct: 140 VDPNVLPETESLALVIDRLLPYWQDVIAKDLLSG------KTVMIAAHGNSLRGLVKHLEGISDADIAK---------LN 204 ---------------------------------- ----------------------------- -- -----EEEEEE----------EE Query: 236 PNTGMSLFIINFEEGREVKPTVQ 258 Sbjct: 205 IPTGIPLVFELDENLKPSKPSYY 227 ----------------------- 226 residues (82.18%) of query sequence aligned
DONE: Fri Aug 08 01:12:29 2008 EST