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:Fri Aug 15 11:57:52 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 T0456
    --> 286 residues, sequence name: T0456
   Database: T:\CBSU\blastdb\20080108\nr


 -> 243 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 0 202 25 13 3 0 2
5 dynamic database entries created: 2V7O_A 2BDW_A 3BHH_A 2JC6_A 2JAM_A RESULTS secondary structure prediction shows 31.82% helical, 20.28% extended and 47.90% loops/other homologs/domains used: 0 query sequence T0456 all homologs found total number of entries processed: 234 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 2BDW_A not_found 95.95.95.3 NONE -73.286 0 1 91.96% 41.06% OPTM -1318.155 -845.630 14.020 0.677 0.963 0.918 0.999 100.230 -120.5 23.220 641.000 -642.5 39.600 640.500 -754.5 0.720 1.780 -46.9 9.030 28.640 -92.3 14.280 87.750 -95.0 52.680 136.670 -172.9 16.090 108.360 -130.6 39.580 120.800 -186.8 -30.000 104.000 -187.0 -30.000 92.000 -209.0 37.850 995.000 -920.0 123.510 973.000 -1026.0 10.980 118.000 -207.0 20.820 156.000 -273.0 5.000 -1.0 -4.009 -15.4 0.000 -9.3e+061 5.000 -1.0 0.544 -63.4 0.27 0.86 2 2V7O_A not_found 95.95.95.3 NONE -73.594 0 1 94.06% 43.49% OPTM -1330.360 -726.790 14.408 0.670 0.902 0.916 0.973 97.710 -117.9 27.840 772.000 -775.0 45.630 671.000 -816.5 5.670 27.900 -76.7 10.550 39.010 -93.7 20.810 137.630 -146.3 39.660 139.050 -176.3 26.770 154.450 -173.0 45.100 128.340 -191.5 -30.000 127.000 -208.0 -30.000 97.000 -213.0 44.830 1086.000 -1003.0 113.380 995.000 -1049.0 12.590 142.000 -245.0 19.450 147.000 -269.0 5.000 -1.0 -3.832 -16.3 0.000 -9.3e+061 5.000 -1.0 1.362 -65.0 0.29 0.87 3 1MQ4_A d.144.1.7 126.77.77.26 NONE -73.654 0 1 91.26% 34.20% OPTM -1355.147 -718.200 11.260 0.651 0.863 0.957 0.986 83.920 -103.6 22.410 544.000 -525.0 36.200 484.500 -577.5 3.180 11.300 -35.1 2.280 11.140 -73.4 17.610 80.260 -71.7 13.400 64.820 -104.7 26.110 125.940 -121.5 29.150 80.250 -143.8 -30.000 117.000 -187.0 -30.000 82.000 -199.0 37.700 912.000 -780.0 84.910 777.000 -835.0 11.490 124.000 -194.0 14.210 118.000 -229.0 5.000 -73.0 -4.373 -15.9 -70.000 364.0 5.000 -74.4 0.519 -42.5 0.26 0.82 4 2NP8_A not_found 95.95.95.3 NONE -73.703 0 1 55.59% 32.30% OPTM -679.181 -482.640 4.799 0.660 0.750 0.976 0.988 42.370 -60.3 4.250 73.000 123.0 19.330 230.000 -322.0 0.550 4.150 82.7 1.240 4.370 -45.0 5.180 25.360 105.2 13.700 45.600 -72.0 8.470 21.680 72.8 21.840 45.470 -90.5 -30.000 15.000 -14.0 -30.000 29.000 -120.0 16.610 312.000 -98.0 40.120 406.000 -467.0 -0.870 29.000 183.0 9.930 52.000 -114.0 5.000 -41.0 -3.098 -14.3 0.000 -9.3e+061 5.000 -74.4 0.519 -42.5 -0.00 0.95 5 d.144.1.7.15_A d.144.1.7 126.77.77.26 NONE -73.744 0 1 91.96% 34.57% OPTM -1344.243 -881.030 11.373 0.646 0.796 0.966 0.988 82.650 -102.7 23.100 547.500 -534.5 34.110 488.000 -587.0 5.730 21.400 -54.1 5.690 25.190 -74.0 19.010 88.630 -92.5 24.930 85.070 -115.7 27.230 133.020 -133.2 31.480 93.380 -152.8 -30.000 115.000 -189.0 -30.000 85.000 -202.0 35.550 838.500 -738.0 83.030 732.000 -793.0 11.020 136.000 -193.0 16.350 112.000 -233.0 5.000 -74.0 -4.336 -15.7 0.000 -9.3e+061 5.000 -74.0 0.505 -42.4 0.30 0.87 RMSD table between hits (RMSDs are shaded according to similarity, up to 10Å )

1

2

3

4

5

1

0.00

1.70

3.70

3.65

5.63

2

1.70

0.00

2.89

3.08

5.43

3

3.70

2.89

0.00

1.43

5.31

4

3.65

3.08

1.43

0.00

5.16

5

5.63

5.43

5.31

5.16

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

100.00

70.72

59.63

52.47

2

100.00

100.00

100.00

98.14

58.94

3

70.72

100.00

100.00

100.00

57.99

4

59.63

98.14

100.00

100.00

96.89

5

52.47

58.94

57.99

96.89

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

100.00

100.00

2

100.00

100.00

100.00

100.00

100.00

3

100.00

100.00

100.00

100.00

100.00

4

100.00

100.00

100.00

100.00

100.00

5

100.00

100.00

100.00

100.00

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: 35.09% helical, 16.60% extended, 48.30% loops/other (query: 31.82% 20.28% 47.90%)

  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.
2BDW_A               not_found     95.95.95.3             NONE   -73.286     0       1  91.96%  41.06%   OPTM    -1318.155     -845.630       14.020        0.677        0.963        0.918        0.999    100.230    -120.5    23.220   641.000    -642.5    39.600   640.500    -754.5     0.720     1.780     -46.9     9.030    28.640     -92.3    14.280    87.750     -95.0    52.680   136.670    -172.9    16.090   108.360    -130.6    39.580   120.800    -186.8   -30.000   104.000    -187.0   -30.000    92.000    -209.0    37.850   995.000    -920.0   123.510   973.000   -1026.0    10.980   118.000    -207.0    20.820   156.000    -273.0     5.000      -1.0    -4.009     -15.4     0.000 -9.3e+061     5.000      -1.0     0.544     -63.4    0.27  0.86

alignment source: OPTM
 +++ there is a problem with all-atom model, click here for details
            ----HHEEEE--------EEEEEEEEE-----EEEEEEE-HHH---HHHHHHHHHHHHHHH-----EEEEEEE------E
Query:   17 QGTFAERYNIVCMLGKGSFGEVLKCKDRITQQEYAVKVINKASAKNKDTSTILREVELLKKLDHPNIMKLFEILEDSSSF   96
Sbjct:    5 STKFSDNYDVKEELGKGAFSVVRRCVHKTTGLEFAAKIINTKKLSARDFQKLEREARICRKLQHPNIVRLHDSIQEESFH   84
            --HHHHHEEEEEEEEEE--EEEEEEEE-----EEEEEEEE-----HHHHHHHHHHHHHHHH--------EEEEEE---EE

            EEEEEE----HHHHHHHH-----HHHHHHHHHHHHHHHHHHHH---EE-------EEEE-------EEEEEE-EEEEE--
Query:   97 YIVGELYTGGELFDEIIKRKRFSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFGLSTCFQQ  176
Sbjct:   85 YLVFDLVTGGELFEDIVAREFYSEADASHCIQQILESIAYCHSNGIVHRNLKPENLLLASKAKGAAVKLADFGLAIEVND  164
            EEEE-------HHHHH-------HHHHHHHHHHHHHHHHHHHH------------EEE--------EEE-----------

            --EEE-E--------HHHH- -------EEHHHHHHHHHHH----------HHHHHHHHHH--------------HHHHH
Query:  177 NTKMKDRIGTAYYIAPEVLR-GTYDEKCDVWSAGVILYILLSGTPPFYGKNEYDILKRVETGKYAFDLPQWRTISDDAKD  255
Sbjct:  165 SEAWHGFAGTPGYLSPEVLKKDPYSKPVDIWACGVILYILLVGYPPFWDEDQHRLYAQIKAGAYDYPSPEWDTVTPEAKS  244
            ---------------HHHH-------HHHHHHHHHHHHHHHH---------HHHHHHHHHH--------------HHHHH

            HHHHH----HHH---HHHHH----
Query:  256 LIRKMLTFHPSLRITATQCLEHPW  279
Sbjct:  245 LIDSMLTVNPKKRITADQALKVPW  268
            HHHHH----------HHHH---HH

263 residues (91.96%) 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: 36.00% helical, 17.82% extended, 46.18% loops/other (query: 31.82% 20.28% 47.90%) 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. 2V7O_A not_found 95.95.95.3 NONE -73.594 0 1 94.06% 43.49% OPTM -1330.360 -726.790 14.408 0.670 0.902 0.916 0.973 97.710 -117.9 27.840 772.000 -775.0 45.630 671.000 -816.5 5.670 27.900 -76.7 10.550 39.010 -93.7 20.810 137.630 -146.3 39.660 139.050 -176.3 26.770 154.450 -173.0 45.100 128.340 -191.5 -30.000 127.000 -208.0 -30.000 97.000 -213.0 44.830 1086.000 -1003.0 113.380 995.000 -1049.0 12.590 142.000 -245.0 19.450 147.000 -269.0 5.000 -1.0 -3.832 -16.3 0.000 -9.3e+061 5.000 -1.0 1.362 -65.0 0.29 0.87 alignment source: OPTM +++ there is a problem with all-atom model, click here for details --------- -HHEEEE--------EEEEEEEEE-----EEEEEEE-HHH---HHHHHHHHHHHHHHH-----EEEE Query: 11 RENLYFQGT----FAERYNIVCMLGKGSFGEVLKCKDRITQQEYAVKVINKASAKNKDTSTILREVELLKKLDHPNIMKL 86 Sbjct: 13 TENLYFQMATCTRFTDDYQLFEELGKG-FSVVRRCVKKTPTQEYAAKIINTKKLSARDHQKLEREARICRLLKHPNIVRL 91 -HHHHH------HHHHHEEEEEEEEE- -EEEEEEEE----EEEEEEEEE-----HHHHHHHHHHHHHHHH--------E EEE------EEEEEEE----HHHHHHHH-----HHHHHHHHHHHHHHHHHHHH---EE-------EEEE-------EEEE Query: 87 FEILEDSSSFYIVGELYTGGELFDEIIKRKRFSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKII 166 Sbjct: 92 HDSISEEGFHYLVFDLVTGGELFEDIVAREYYSEADASHCIHQILESVNHIHQHDIVHRDLKPENLLLASKCKGAAVKLA 171 EEEEE---EEEEEEE------HHHHHH------HHHHHHHHHHHHHHHHHHHH--EE--------EEE--------EEE- EE-EEEEE- ---EEE-E--------HHHH- -------EEHHHHHHHHHHH----------HHHHHHHHHH-------- Query: 167 DFGLSTCFQ-QNTKMKDRIGTAYYIAPEVLR-GTYDEKCDVWSAGVILYILLSGTPPFYGKNEYDILKRVETGKYAFDLP 244 Sbjct: 172 DFGLAIEVQGEQQAWFGFAGTPGYLSPEVLRKDPYGKPVDIWACGVILYILLVGYPPFWDEDQHKLYQQIKAGAYDFPSP 251 -----EE-------------------HHHHH------HHHHHHHHHHHHHHHH---------HHHHHHHHH--------- ------HHHHHHHHHH----HHH---HHHHH---- Query: 245 QWRTISDDAKDLIRKMLTFHPSLRITATQCLEHPW 279 Sbjct: 252 EWDTVTPEAKNLINQMLTINPAKRITADQALKHPW 286 ------HHHHHHHHHH----------HHHH---HH 269 residues (94.06%) of query sequence aligned
--> hit 3 [All-atom model (PDB)] [view all-atom model (PDB) with Chime] [PIR alignment file] [PDB file (backbone only)] [view PDB file (backbone only) with Chime] [hit list] secondary structure: 38.08% helical, 17.69% extended, 44.23% loops/other (query: 31.82% 20.28% 47.90%) SCOP classification: [Alpha and beta proteins (a+b)]/[Protein kinase-like (PK-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. 1MQ4_A d.144.1.7 126.77.77.26 NONE -73.654 0 1 91.26% 34.20% OPTM -1355.147 -718.200 11.260 0.651 0.863 0.957 0.986 83.920 -103.6 22.410 544.000 -525.0 36.200 484.500 -577.5 3.180 11.300 -35.1 2.280 11.140 -73.4 17.610 80.260 -71.7 13.400 64.820 -104.7 26.110 125.940 -121.5 29.150 80.250 -143.8 -30.000 117.000 -187.0 -30.000 82.000 -199.0 37.700 912.000 -780.0 84.910 777.000 -835.0 11.490 124.000 -194.0 14.210 118.000 -229.0 5.000 -73.0 -4.373 -15.9 -70.000 364.0 5.000 -74.4 0.519 -42.5 0.26 0.82 alignment source: OPTM +++ there is a problem with all-atom model, click here for details ----HHEEEE--------EEEEEEEEE-----EEEEEEE-HHH---H HHHHHHHHHHHHHH-----EEEEEEE------ Query: 17 QGTFAERYNIVCMLGKGSFGEVLKCKDRITQQEYAVKVINKASAKNK-DTSTILREVELLKKLDHPNIMKLFEILEDSSS 95 Sbjct: 126 RQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATR 205 -------EEEEEEEEE----EEEEEEE-----EEEEEEEEHHHHHHH--HHHHHHHHHHHHH--------EEEEEE---E EEEEEEE----HHHHHHHH-----HHHHHHHHHHHHHHHHHHHH---EE-------EEEE-------EEEEEE-EEEEE- Query: 96 FYIVGELYTGGELFDEIIKRKRFSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFGLSTCFQ 175 Sbjct: 206 VYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSA---GELKIADFGWSVHAP 282 EEEEE-------HHHHHHHH----HHHHHHHHHHHHHHHHHHHH--EE--------EEE--- --EEE------EE-- ---EEE-E--------HHHH--- -----EEHHHHHHHHHHH----------HHHHHHHHHH--------------HHHH Query: 176 QNTKMKDRIGTAYYIAPEVLRGT-YDEKCDVWSAGVILYILLSGTPPFYGKNEYDILKRVETGKYAFDLPQWRTISDDAK 254 Sbjct: 283 ---SSRTLCGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTF--PDF--VTEGAR 355 -------------HHHH-------HHHHHHHHHHHHHHHH---------HHHHHHHHHH----- --- --HHHH HHHHHH----HHH---HHHHH----E----- Query: 255 DLIRKMLTFHPSLRITATQCLEHPWIQKYSS 285 Sbjct: 356 DLISRLLKHNPSQRPMLREVLEHPWITANSS 386 HHHHHH----------HHHHH--HHHHHH-- 261 residues (91.26%) 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: 30.38% helical, 21.52% extended, 48.10% loops/other (query: 31.82% 20.28% 47.90%) 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. 2NP8_A not_found 95.95.95.3 NONE -73.703 0 1 55.59% 32.30% OPTM -679.181 -482.640 4.799 0.660 0.750 0.976 0.988 42.370 -60.3 4.250 73.000 123.0 19.330 230.000 -322.0 0.550 4.150 82.7 1.240 4.370 -45.0 5.180 25.360 105.2 13.700 45.600 -72.0 8.470 21.680 72.8 21.840 45.470 -90.5 -30.000 15.000 -14.0 -30.000 29.000 -120.0 16.610 312.000 -98.0 40.120 406.000 -467.0 -0.870 29.000 183.0 9.930 52.000 -114.0 5.000 -41.0 -3.098 -14.3 0.000 -9.3e+061 5.000 -74.4 0.519 -42.5 -0.00 0.95 alignment source: OPTM ---HHEEEE--------EEEEEEEEE-----EEEEEEE-HHH---H HHHHHHHHHHHHHH-----EEEEEEE------E Query: 18 GTFAERYNIVCMLGKGSFGEVLKCKDRITQQEYAVKVINKASAKNK-DTSTILREVELLKKLDHPNIMKLFEILEDSSSF 96 Sbjct: 127 QWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATRV 206 ------EEEEEEEE------EEEEEE-----EEEEEEEEHHHHHHH--HHHHHHHHHHHHH--------EEEEEE---EE EEEEEE----HHHHHHHH-----HHHHHHHHHHHHHHHHHHHH---EE-------EEEE-------EEEEEE-EEEEE-- Query: 97 YIVGELYTGGELFDEIIKRKRFSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFGLSTCFQQ 176 Sbjct: 207 YLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAG---ELKIADFGWSVHAPS 283 EEEE-------HHHHHHHH----HHHHHHHHHHHHHHHHHHHH------------EEE---- -EEE----------- -- Query: 177 NT 178 Sbjct: 284 SR 285 -- 159 residues (55.59%) 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: 36.26% helical, 18.32% extended, 45.42% loops/other (query: 31.82% 20.28% 47.90%) SCOP classification: [Alpha and beta proteins (a+b)]/[Protein kinase-like (PK-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.144.1.7.15_A d.144.1.7 126.77.77.26 NONE -73.744 0 1 91.96% 34.57% OPTM -1344.243 -881.030 11.373 0.646 0.796 0.966 0.988 82.650 -102.7 23.100 547.500 -534.5 34.110 488.000 -587.0 5.730 21.400 -54.1 5.690 25.190 -74.0 19.010 88.630 -92.5 24.930 85.070 -115.7 27.230 133.020 -133.2 31.480 93.380 -152.8 -30.000 115.000 -189.0 -30.000 85.000 -202.0 35.550 838.500 -738.0 83.030 732.000 -793.0 11.020 136.000 -193.0 16.350 112.000 -233.0 5.000 -74.0 -4.336 -15.7 0.000 -9.3e+061 5.000 -74.0 0.505 -42.4 0.30 0.87 alignment source: OPTM +++ there is a problem with all-atom model, click here for details ----HHEEEE--------EEEEEEEEE-----EEEEEEE-HHH- --HHHHHHHHHHHHHHH-----EEEEEEE------ Query: 17 QGTFAERYNIVCMLGKGSFGEVLKCKDRITQQEYAVKVINKASA-KNKDTSTILREVELLKKLDHPNIMKLFEILEDSSS 95 Sbjct: 126 RQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATR 205 -------EEEEEEEEE---EEEEEEEE-----EEEEEEEEHHHHHH---HHHHHHHHHHHH---------EEEEEE---E EEEEEEE----HHHHHHHH-----HHHHHHHHHHHHHHHHHHHH---EE-------EEEE-------EEEEEE-EEEEE- Query: 96 FYIVGELYTGGELFDEIIKRKRFSEHDAARIIKQVFSGITYMHKHNIVHRDLKPENILLESKEKDCDIKIIDFGLSTCFQ 175 Sbjct: 206 VYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAG---ELKIADFGWSVHAP 282 EEEEEE------HHHHHHHH----HHHHHHHHHHHHHHHHHHHH------------EEE---- -EEE---------- ---EEE-E--------HHHH--- -----EEHHHHHHHHHHH----------HHHHHHHHHH--------------HHHH Query: 176 QNTKMKDRIGTAYYIAPEVLRGT-YDEKCDVWSAGVILYILLSGTPPFYGKNEYDILKRVETGKYAFDLPQWRTISDDAK 254 Sbjct: 283 SSRRTTL-CGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTF--PDF--VTEGAR 357 ----EE- -EE-----HHHH--------HHHHHHHHHHHHHHH---------HHHHHHHHH------ --- --HHHH HHHHHH----HHH---HHHHH----E----- Query: 255 DLIRKMLTFHPSLRITATQCLEHPWIQKYSS 285 Sbjct: 358 DLISRLLKHNPSQRPMLREVLEHPWITANSS 388 HHHHHH----------HHHHH--HHHHHH-- 263 residues (91.96%) of query sequence aligned
DONE: Fri Aug 15 19:34:30 2008 EST