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:Mon Aug 11 09:10:01 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 T0424
    --> 381 residues, sequence name: T0424
   Database: T:\CBSU\blastdb\20080108\nr


 -> 6 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 38 5 4 2 0 0 0 2
RESULTS secondary structure prediction shows 12.86% helical, 33.07% extended and 54.07% loops/other homologs/domains used: 0 query sequence T0424 all homologs found total number of entries processed: 300 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 1WRU_A not_found 49.49.49.49 NONE -100.724 0 1 85.30% 22.65% OPTM -971.130 -890.390 9.114 0.604 0.718 0.932 0.974 69.780 -111.0 8.260 293.500 -239.5 17.780 284.000 -394.0 -0.540 1.010 18.8 4.360 13.440 -61.9 3.170 22.760 40.2 17.460 38.140 -69.2 8.440 32.990 -36.9 27.440 70.080 -142.2 -30.000 29.000 -202.0 -30.000 58.000 -242.0 33.620 775.000 -696.0 82.800 788.000 -860.0 2.230 40.000 -69.0 7.900 66.000 -181.0 5.000 -94.7 -1.230 -11.2 0.000 -9.3e+061 5.000 -1.0 -2.222 -19.0 0.29 0.78 2 3CDD_A not_found 49.49.49.49 NONE -101.244 0 1 84.51% 21.18% OPTM -886.050 -767.900 7.154 0.599 0.749 0.867 0.913 53.920 -100.9 6.900 161.000 -221.5 14.220 220.500 -359.5 -0.200 5.420 5.2 1.700 1.840 -57.6 5.300 39.030 18.1 8.360 19.690 -50.8 14.830 55.310 -70.0 16.420 43.340 -119.6 -30.000 28.000 -194.0 -30.000 47.000 -232.0 26.800 568.000 -540.0 67.120 624.000 -688.0 0.550 37.000 -24.0 6.150 44.000 -142.0 5.000 -84.7 -1.293 -12.8 0.000 -9.3e+061 5.000 -87.3 0.204 -12.0 0.32 0.92 3 2P5Z_X not_found 49.49.49.49 NONE -103.293 0 1 87.93% 11.86% OPTM -563.158 -608.890 1.854 0.392 0.475 0.795 0.816 16.470 -68.3 2.240 28.000 -106.0 0.010 -32.500 -123.5 0.090 17.190 -27.0 0.900 2.640 -70.3 1.390 22.470 6.8 0.270 -2.540 -36.0 6.140 9.740 -81.3 8.810 6.330 -100.7 -30.000 -9.000 -220.0 -30.000 -8.000 -226.0 3.220 86.000 -2.0 4.640 34.000 -97.0 0.330 37.000 -88.0 3.230 23.000 -146.0 5.000 -3.1 0.726 -14.9 0.000 -9.3e+061 5.000 -4.2 0.114 0.6 0.35 0.81 4 2PM9_A not_found 49.49.49.49 NONE -999.000 0 1 91.86% 14.02% OPTM -283.467 -607.850 0.974 0.389 0.224 0.688 0.699 8.730 -57.0 -0.030 29.000 -36.5 0.040 -5.500 -107.5 1.400 4.980 -32.4 1.550 -0.240 -56.0 1.210 11.130 9.4 0.910 1.800 -30.6 2.560 7.700 -85.3 4.280 1.570 -96.6 -30.000 2.000 -211.0 -30.000 4.000 -216.0 0.770 22.000 58.0 2.610 17.000 -64.0 2.540 28.000 -96.0 1.500 -4.000 -131.0 5.000 0.4 3.021 -15.6 0.000 -9.3e+061 5.000 0.1 -0.201 -0.3 0.58 0.69 5 2GOP_A not_found 49.49.49.49 NONE -999.000 0 1 77.17% 9.32% OPTM -625.217 -550.780 0.903 0.436 0.220 0.667 0.731 3.130 -53.2 -0.840 -44.500 4.0 -0.430 -11.000 -112.0 -0.160 0.080 2.8 0.510 -7.880 -46.6 0.830 6.290 40.6 2.570 7.870 -36.1 5.700 8.910 -33.2 3.410 1.040 -73.0 -30.000 8.000 -150.0 -30.000 6.000 -164.0 1.520 48.000 30.0 1.880 15.000 -72.0 0.460 29.000 0.0 2.780 8.000 -103.0 5.000 0.3 -0.255 -14.0 0.000 -9.3e+061 5.000 0.3 0.079 0.2 0.71 0.33 RMSD table between hits (RMSDs are shaded according to similarity, up to 10Å )

1

2

3

4

5

1

0.00

4.12

15.27

20.53

23.38

2

4.12

0.00

15.25

20.95

23.72

3

15.27

15.25

0.00

25.50

21.92

4

20.53

20.95

25.50

0.00

18.27

5

23.38

23.72

21.92

18.27

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

42.77

25.22

5.00

4.71

2

42.77

100.00

31.55

4.41

4.41

3

25.22

31.55

100.00

4.32

4.65

4

5.00

4.41

4.32

100.00

5.97

5

4.71

4.41

4.65

5.97

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

50.15

11.47

14.12

2

100.00

100.00

50.00

10.00

12.35

3

50.15

50.00

100.00

9.19

12.50

4

11.47

10.00

9.19

100.00

11.93

5

14.12

12.35

12.50

11.93

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: 14.51% helical, 42.59% extended, 42.90% loops/other (query: 12.86% 33.07% 54.07%)

  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.
1WRU_A               not_found     49.49.49.49            NONE  -100.724     0       1  85.30%  22.65%   OPTM     -971.130     -890.390        9.114        0.604        0.718        0.932        0.974     69.780    -111.0     8.260   293.500    -239.5    17.780   284.000    -394.0    -0.540     1.010      18.8     4.360    13.440     -61.9     3.170    22.760      40.2    17.460    38.140     -69.2     8.440    32.990     -36.9    27.440    70.080    -142.2   -30.000    29.000    -202.0   -30.000    58.000    -242.0    33.620   775.000    -696.0    82.800   788.000    -860.0     2.230    40.000     -69.0     7.900    66.000    -181.0     5.000     -94.7    -1.230     -11.2     0.000 -9.3e+061     5.000      -1.0    -2.222     -19.0    0.29  0.78

alignment source: OPTM
 +++ there is a problem with all-atom model, click here for details
            -EEEEEE---EE---EEEEEE--HHHHH---EEEE---------------EEEEEE---EEEEEEEEE---------EEE
Query:    8 YAVSVRVGGKEHRHWERYDIDSDFLIPADSFDFVIGRLGPEAAIPDLSGESCEVVIDGQIVMTGIIGSQRHGKSKGSREL   87
Sbjct:    3 NTVTLRADGRLFTGWTSVSVTRSIESVAGYFELGVNVPPGTDLSGLAPGKKFTLEIGGQIVCTGYIDSRRRQMTADSMKI   82
            --EEEEE--EEEE---EEEEEEE------EEEEEEEE-------------EEEEEE--EEEEEEEEEEEEEEE----EEE

            EEEE---HHHH-------HHH--     --HHHHHHHHH------EEEEEE-- ------EEEE----HHHHHHHHHHHH
Query:   88 SLSGRDLAGFLVDCSAPQLNVKG-----MTVLDAAKKLAAPWPQIKAVVLKAE-NNPALGKIDIEPGETVWQALTHIANS  161
Sbjct:   83 TVAGRDKTADLIDCAAVY---SGGQWKNRTLEQIARDLCAPYGVTVRWELSDKESSAAFPGFTLDHSETVYEALVRASRA  159
            EEEEEE--HHHHH-----   ---EEEEE-HHHHHHHHH------EEE----HHHH--EEEEE------HHHHHHHHHH-

            ---EEEE----EEEEE---------EEEEE-------EEEEEEE-------EEEEEEEEE-------------EEEEE--
Query:  162 VGLHPWLEPDGTLVVGGADYSSPPVATLCWSRTDSRCNIERMDIEWDTDNRFSEVTFLAQSHGRSGDSAKHDLKWVYKDP  241
Sbjct:  160 RGVLMTSNAAGELVFSRA--ASTATDELVLGEN-----LLTLDFEEDFRDRFSEYTVKSR-------------KGTATDS  219
            ---EEEE-----EEEE--  ---EEEEEE----     EEEEEEEE-------EEEE---             -EEEE--

            -------EEEEE-----HHHHHHHHHHHHHHHH----EEEEEE---------E-----EEEEEE------- EEEEEEEE
Query:  242 TMTLHRPKTVVVSDADNLAALQKQAKKQLADWRLEGFTLTITVGGHKTRDGVLWQPGLRVHVIDDEHGIDA-VFFLMGRR  320
Sbjct:  220 DVTRYRPMIIIADSKITAKDAQARALREQRRRLAKSITFEAEIDGWTRKDGQLWMPNLLVTIDASKYAIKTTELLVSKVT  299
            ------EEEE-------HHHHHHHHHHHHHHHHHHHEEEEEEEE--------------EEEEEE----EE---EEEEEEE

            EEE------EEEEEEE-- ---------
Query:  321 FMLSRMDGTQTELRLKED-GIWTPDAYP  347
Sbjct:  300 LILNDQDGLKTRVSLAPREGFLVPVESD  327
            EEEE---EEEEEEEEEE-----------

325 residues (85.30%) 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: 12.77% helical, 37.07% extended, 50.16% loops/other (query: 12.86% 33.07% 54.07%) 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. 3CDD_A not_found 49.49.49.49 NONE -101.244 0 1 84.51% 21.18% OPTM -886.050 -767.900 7.154 0.599 0.749 0.867 0.913 53.920 -100.9 6.900 161.000 -221.5 14.220 220.500 -359.5 -0.200 5.420 5.2 1.700 1.840 -57.6 5.300 39.030 18.1 8.360 19.690 -50.8 14.830 55.310 -70.0 16.420 43.340 -119.6 -30.000 28.000 -194.0 -30.000 47.000 -232.0 26.800 568.000 -540.0 67.120 624.000 -688.0 0.550 37.000 -24.0 6.150 44.000 -142.0 5.000 -84.7 -1.293 -12.8 0.000 -9.3e+061 5.000 -87.3 0.204 -12.0 0.32 0.92 alignment source: OPTM --EEEEEE---EE---EEEEEE--HHHHH---EEEE-- ---------- ---EEEEEE---EEEEEEEEE--- Query: 7 GYAVSVRVGGKEHRHWERYDIDSDFLIPADSFDFVIGR---LGPEAAIPDL-----SGESCEVVIDGQIVMTGIIGSQRH 78 Sbjct: 2 SEEIVLKAGGKIYQGWTKIGITRSLE---ASGAFDLETYKFLGNDAQYKAFIEPIKQGQACTVDIGGERVITGYVDDWVP 78 ---EEEEE--EEE-----EEEEEE-- ---EEEE--EE-------------------EEEEEE--EEEEEEEEEEEEE ------EEEEEEE---HHHH----- --HHH----HHHHHHHHH------EEEEEE--------EEEE----HHHHHHH Query: 79 GKSKGSRELSLSGRDLAGFLVDCSA--PQLNVKGMTVLDAAKKLAAPWPQIKAVVLKAENNPALGKIDIEPGETVWQALT 156 Sbjct: 79 SYDESTITISVSGRDKTADLVDCSIDYPSGQFNNQTLTQIADIVCKPFGI--KVIVNTDVGEPFQRIQIEQGETPHELLA 156 EE---EEEEEEEEEE--HHHHH--------EEEEE-HHHHHHHHH----- -EEE-------EEEEE------HHHHHH HHHHH---EEEE----EEEEE---------EEEEE-------EEEEEEE-------EEEEEEEEE-------------EE Query: 157 HIANSVGLHPWLEPDGTLVVGGADYSSPPVATLCWSRTDSRCNIERMDIEWDTDNRFSEVTFLAQSHGRSGDSAKHDLKW 236 Sbjct: 157 RLAKQRGVLLTSDTFGNLVITRASKTKAGV-SLILGDNVK-----AARGRFSWRQRFSKFTIKAA-------------KA 217 HHHH----EEEE-----EEEE--------- -EE------ EEE----------EEEEE-- -E EEE---------EEEEE-----HHHHHHHHHHHHHHHH----EEEEEE---- -----E-----EEEEEE-------EEE Query: 237 VYKDPTMTLHRPKTVVVSDADNLAALQKQAKKQLADWRLEGFTLTITVGGHK-TRDGVLWQPGLRVHVIDDEHGIDAVFF 315 Sbjct: 218 DVTDSEIGRYR-PLIIVNEEVTAEGAAKRGQWERQRSIGKS-NAEYTVTGWRIPQTGKLWNINTLVPVIDEI-GLDEELI 294 EEE-------- EEEEE-----HHHHHHHHHHHHHHHHH-- --EEEEE------------------EEE-- -EEE--E EEEEEEEE------EEEEEEE---------- Query: 316 LMGRRFMLSRMDGTQTELRLKEDGIWTPDAY 346 Sbjct: 295 ASILFSEDD--AGRLAVISVVRPDADIPAQI 323 EEEEEEEE- -EEEEEEEE----------- 322 residues (84.51%) 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: 11.28% helical, 40.95% extended, 47.77% loops/other (query: 12.86% 33.07% 54.07%) 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. 2P5Z_X not_found 49.49.49.49 NONE -103.293 0 1 87.93% 11.86% OPTM -563.158 -608.890 1.854 0.392 0.475 0.795 0.816 16.470 -68.3 2.240 28.000 -106.0 0.010 -32.500 -123.5 0.090 17.190 -27.0 0.900 2.640 -70.3 1.390 22.470 6.8 0.270 -2.540 -36.0 6.140 9.740 -81.3 8.810 6.330 -100.7 -30.000 -9.000 -220.0 -30.000 -8.000 -226.0 3.220 86.000 -2.0 4.640 34.000 -97.0 0.330 37.000 -88.0 3.230 23.000 -146.0 5.000 -3.1 0.726 -14.9 0.000 -9.3e+061 5.000 -4.2 0.114 0.6 0.35 0.81 alignment source: OPTM +++ there is a problem with all-atom model, click here for details EEEE---E E---EEEEEE--HHHHH---EEEE---------------EEEEEE--- EEEEEEEEE--- ------EEE Query: 11 SVRVGGKE-HRHWERYDIDSDFLIPADSFDFVIGRLGPEAAIPDLSGESCEVVIDGQ-IVMTGIIGSQRH-GKSKGSREL 87 Sbjct: 16 KLKIRGLQSPVDVLTFEGREQLSTPF-RYDIQFTSSDKAIAPESVLMQDGAFSLTAALRTLHGVITGFKHLSSSQDEARY 94 EEE-------EEEEEEEEEE-----E EEEEEEE-------------EEEEEE----EEEEEEEEEEEEEEE----EEEE EEEE---HHHH-------HHH----HHHHHHHHH------E EEEEE--------EEEE----HHHHHHHHHHHH---E Query: 88 SLSGRDLAGFLVDCSAPQLNVKGMTVLDAAKKLAAPWPQIK--AVVLKAENNPALGKIDIEPGETVWQALTHIANSVGLH 165 Sbjct: 95 EVRLEPRMALLTRSRQ-NAIYQNQTVPQIVEKILRERHQMRGQDFVFNLKSEYPAREQVMQYGEDDLTFVSRLLSEVGI- 172 EEEE------------ EEEEEE-HHHHHHHHHH---------EEEE-------EEEEEE----HHHHHHHHHHHH--E EEE----EEEEE---------EEEEE-------EEEEEEE-------EEEEEEEEE-------------EEEEE------ Query: 166 PWLEPDGTLVVGGADYSSPPVATLCWSRTDSRCNIERMDIEWDTDNRFSEVTFLAQSHGRSGDSAKHDLKWVYKDPTMTL 245 Sbjct: 173 -----------------------WFRFATDARLKIEVIEFYDDQSGYERGLTLPLRT----------EAVWGLNTAYSV- 218 EEEEEE----EEEEEEE------EEEEEE----- -EEEEEEEE--- ---EEEEE-----HHHHHHHHHHHHHHHH----EEEEEE---------E-----EEEEEE---- ---EEEEEEEEEEE Query: 246 HRPKTVVVSDADNLAALQKQAKKQLADWRLEGFTLTITVGGHKTRDGVLWQPGLRVHVIDDEHG--IDAVFFLMGRRFML 323 Sbjct: 219 ---------SGAFYARIRHERYLNEQ------AILKGQSTSSL------LMPGLEIKVQGDDAPAVFRKGVLITGVTTSA 277 ---HHHHHHHHHHH--E EEEEEE----- ---EEEEE------HHHHH-EEEEEEEEEEE ------EEEEEEE--- ------------- ------------------------EEEEE Query: 324 SRMDGTQTELRLKEDG---IWTPDAYPKKAEA------------ARKRKGKRKGVSHKGKKGGKKQAETAVFE 381 Sbjct: 278 ARDRSYELTFTAIPYSERYGYRPALIPRPVMAGTLPARVTSDIYAHIDKDGRYRVNLDFRDTWKPGYESLWVR 350 -----EEEEEEEE--------------------EEEEE-------------EEEE------------EEEE-- 335 residues (87.93%) 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: 0.00% helical, 30.30% extended, 69.70% loops/other (query: 12.86% 33.07% 54.07%) 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. 2PM9_A not_found 49.49.49.49 NONE -999.000 0 1 91.86% 14.02% OPTM -283.467 -607.850 0.974 0.389 0.224 0.688 0.699 8.730 -57.0 -0.030 29.000 -36.5 0.040 -5.500 -107.5 1.400 4.980 -32.4 1.550 -0.240 -56.0 1.210 11.130 9.4 0.910 1.800 -30.6 2.560 7.700 -85.3 4.280 1.570 -96.6 -30.000 2.000 -211.0 -30.000 4.000 -216.0 0.770 22.000 58.0 2.610 17.000 -64.0 2.540 28.000 -96.0 1.500 -4.000 -131.0 5.000 0.4 3.021 -15.6 0.000 -9.3e+061 5.000 0.1 -0.201 -0.3 0.58 0.69 alignment source: OPTM +++ there is a problem with all-atom model, click here for details ------EEEEEE---EE---EEEEEE--HHHHH---EEEE--- ------------ EEEEEE---EEEEEE Query: 3 NNSYGYAVSVRVGGKEHRHWERYDIDSDFLIPADSFDFVIGRL-GPEAAIPDLSGE----SCEVVIDGQIVMTGI----- 72 Sbjct: 17 HDKIPLLVSGTVSGTVDANFST---DS-------SLELWSLLAADSEKPIASLQVDSKFNDLDWSHNNKIIAGALDNGSL 86 ----EEEE-------------- -- -EEEE------------------EEEEEE------EEEEE----EE EEE---------EEEEEEE---HHHH-------HHH----HHHHHHHHH------EEEEEE--------EEEE----HH Query: 73 -IGSQRHGKSKGSRELSLSGRDLAGFLVDCSAPQLNVKGMTVLDAAKKLAAPWPQIKAVVLKAENNPALGKIDIEPGETV 151 Sbjct: 87 ELYSTNEANNAINSMARFSNHS-------------------------------SSVKTVKFNAKQDN-VLASGGNNGE-- 132 EE----------EEEE------ ---EEEE------- EEEE-----E HHHHHHHHHH---EEEE---- EEEEE------ ---EEEEE-------EEEE EEE-------EEEEEEE Query: 152 WQALTHIANSVGLHPWLEPDG-------TLVVGGADYSS-PPVATLCWSRTDSRCNIER----MDIEWDTDNRFSEVTFL 219 Sbjct: 133 ------------IFIWDMNKCTESPSNYTPLTPGQSMSSVDEVISLAWNQSLAHVFASAGSSNFASIWDLKAKKEVIHLS 200 E------------------------------EEEE------EEEEE-----EEEEE----EEEEEE-- EE-------------EEEEE---------EEEEE-----HHHHHHHHHHHHHHHH----EEEEEE---------E---- Query: 220 AQSHGRSGDSAKHDLKWVYKDPTMTLHRPKTVVVSDADNLAALQKQAKKQLADWRLEGFTLTITVGGHKTRDGVLWQPG- 298 Sbjct: 201 YTS---PNSGIKQQLSVVEWHPKNS---TRVATATGSDN-----------------DPSILIWDLRNANTPLQTLNQGHQ 257 --- -------EEEEEE------ EEEEEE----- ----EEE----------------- -EEEEEE-------EEEEEEE EEEE------EEEEEEE------ --- ------ Query: 299 LRVHVIDDEHGIDAVFFLMGR--RFMLSRMDGTQTELRLKEDGIWT------PDA-------------------YPKKAE 351 Sbjct: 258 KGILSLDWCHQDEHLLLSSGRDNTVLLWNPESAEQLSQFPARGNWCFKTKFAPEAPDLFACASFDNKIEVQTLQNLTNTL 337 -EEEEEE-------EEEEE---EEEEE------EEEEEE--------EEE------EEEE-----EEEEEE--------- -------------------------EEEE Query: 352 AARKRKGKRKGVSHKGKKGGKKQAETAVF 380 Sbjct: 338 DESKEKPSVFHLQAPTWYGEPSPAAHWAF 366 ------------------------EEE-- 350 residues (91.86%) 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, 53.61% extended, 46.39% loops/other (query: 12.86% 33.07% 54.07%) 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. 2GOP_A not_found 49.49.49.49 NONE -999.000 0 1 77.17% 9.32% OPTM -625.217 -550.780 0.903 0.436 0.220 0.667 0.731 3.130 -53.2 -0.840 -44.500 4.0 -0.430 -11.000 -112.0 -0.160 0.080 2.8 0.510 -7.880 -46.6 0.830 6.290 40.6 2.570 7.870 -36.1 5.700 8.910 -33.2 3.410 1.040 -73.0 -30.000 8.000 -150.0 -30.000 6.000 -164.0 1.520 48.000 30.0 1.880 15.000 -72.0 0.460 29.000 0.0 2.780 8.000 -103.0 5.000 0.3 -0.255 -14.0 0.000 -9.3e+061 5.000 0.3 0.079 0.2 0.71 0.33 alignment source: OPTM +++ there is a problem with all-atom model, click here for details --------EEEEEE-- -EE---EEEEEE--HHHHH---EEEE------- --------EEEEEE---EEEEE Query: 1 MQNNSYGYAVSVRVGG----KEHRHWERYDIDSDFLIPADSFDFVIGRLGPEA-----AIPDLSGESCEVVIDGQIVMTG 71 Sbjct: 36 LKDNKYENTIVIENLKNNARRFIENATMPRISP------DGKKIAFMRANEEKKVSEIWVADLETLSSKKILEAKNIRSL 109 ---EEEEEEEEEE-----EEEEE--EEEEE--- --EEEEEEEE----EEEEEEEE----EEEEEEEE-EEEEEE EEEE---------EEEEEEE---HHHH-------HHH----HHHHHHHHH------EEEEEE--------EEEE----HH Query: 72 IIGSQRHGKSKGSRELSLSGRDLAGFLVDCSAPQLNVKGMTVLDAAKKLAAPWPQIKAVVLKAENNPALGKIDIEPGETV 151 Sbjct: 110 EWNE-------DSRKLLIVGFKR--------------REV----------PAWEKTTFWIFDTESEEVIEEFEKPRF--- 155 E--- --EEEEEEE--- --- ---EEEEEEEE----EEEEEEEEE--- HHHHHHHHHH---EEEE----EEEEE------- --EEEEE-------EEEEE EE-------EEEEEEEEE------ Query: 152 WQALTHIANSVGLHPWLEPDGTLVVGGADYSSP---PVATLCWSRTDSRCNIERM-DIEWDTDNRFSEVTFLAQSHGRSG 227 Sbjct: 156 -----------SSGIWHRDKIVVNVPHREIIPQYFKFWDIYIWEDGKEEKMFEKVSFYAVDSDGE--RILLYGKPEKKYM 222 EEEEE--EEEEEEE-----------EEEEEEE--EEEEEEEEE-EEEEEE---- EEEEE-------- -------EEEEE--------- EEEEE-----HHHHHHHHHHHHHHHH----EEEEEE---------E-----EE Query: 228 DSAKHDLKWVYKDPTMTLHRP------KTVVVSDADNLAALQKQAKKQLADWRLEGFTLTITVGGHKTRDGVLWQPGLRV 301 Sbjct: 223 S--EHNKLYIYDGKEVMGILDEVDRGVGQAKIKDG----------------------KVYFTLFEEGSVNLYIWD-GEIK 277 - --EEEEE----EEE-------EEEEEEEE--E EEEEEEE--EEEEEEE-- -EEE EEEE-------EEEEEEE EEEE------EEEEEEE------------------ Query: 302 HVIDDEHGIDAVFFLMGR---RFMLSRMDGTQTELRLKEDGIWTPDAYPKKAEAAR 354 Sbjct: 278 PIAKGRH----WIMGFDVDEIVVYLKETATRLRELFTWDGEEKQLTDYNDPIFAKL 329 EE----E EEEEEE---EEEEEE------EEEEE---EEE------------L 294 residues (77.17%) of query sequence aligned
DONE: Mon Aug 11 18:05:03 2008 EST