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 18 04:20:40 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 T0445
    --> 264 residues, sequence name: T0445
   Database: T:\CBSU\blastdb\20080108\nr


 -> 0 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 72 10 0 0 0 0 0 0
5 dynamic database entries created: 1RLO_A 2HF2_A 1RKQ_A 1YMQ_A 1NF2_A RESULTS secondary structure prediction shows 37.88% helical, 23.11% extended and 39.02% loops/other homologs/domains used: 0 query sequence T0445 all homologs found total number of entries processed: 242 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 1RLM_A c.108.1.10 133.43.43.16 NONE -68.064 0 1 98.86% 24.33% OPTM -1365.851 -868.380 9.571 0.712 0.903 0.968 0.991 64.000 -104.7 12.120 314.000 -331.5 18.730 260.500 -364.5 3.680 30.690 -81.2 6.050 29.520 -94.5 7.110 52.820 -73.2 20.610 74.600 -116.1 17.970 122.070 -141.1 34.630 91.740 -167.6 -30.000 85.000 -217.0 -30.000 66.000 -224.0 24.350 517.000 -448.0 52.770 423.000 -484.0 15.440 157.000 -270.0 20.620 154.000 -289.0 5.000 -73.5 0.693 -15.3 79.000 354.0 5.000 -73.5 0.602 -17.2 0.62 0.86 2 1RKQ_A c.108.1.10 133.43.43.16 NONE -68.159 0 1 98.48% 20.38% OPTM -1143.200 -815.270 8.562 0.677 0.890 0.962 0.977 57.200 -93.0 10.280 167.500 -217.5 11.510 154.500 -239.5 3.400 20.290 -71.0 4.360 16.320 -84.9 7.040 53.280 -64.9 11.350 42.670 -83.5 14.940 107.220 -132.4 33.170 75.360 -145.1 -30.000 92.000 -215.0 -30.000 71.000 -216.0 21.770 469.000 -403.0 47.620 375.000 -427.0 16.110 177.000 -272.0 23.550 155.000 -284.0 5.000 -56.0 -0.533 -15.8 0.000 -9.3e+061 5.000 -56.0 0.934 -9.3 0.66 0.90 3 1NF2_A c.108.1.10 133.43.43.16 NONE -68.189 0 1 97.73% 22.69% OPTM -1274.429 -854.320 8.888 0.696 0.841 0.953 0.968 52.660 -91.7 11.220 216.000 -269.0 12.940 182.500 -280.0 4.690 27.290 -82.2 5.820 23.090 -95.5 9.510 62.660 -86.5 13.010 50.850 -96.7 19.540 111.740 -143.3 30.460 73.360 -148.0 -30.000 86.000 -215.0 -30.000 73.000 -217.0 23.370 510.000 -442.0 49.260 397.000 -450.0 15.020 155.000 -270.0 21.780 149.000 -276.0 5.000 -54.0 0.217 -13.4 0.000 -9.3e+061 5.000 -54.0 -0.569 -11.4 0.77 0.97 4 2B30_A c.108.1.10 133.43.43.16 NONE -68.204 0 1 99.62% 21.29% OPTM -1185.446 -887.590 8.083 0.691 0.902 0.913 0.986 60.490 -95.7 8.690 273.000 -225.5 13.630 149.000 -264.0 2.600 17.050 -66.8 2.890 -0.630 -89.2 5.140 46.030 -48.8 8.910 34.030 -86.4 13.510 72.650 -103.7 35.280 64.490 -140.9 -30.000 73.000 -210.0 -30.000 71.000 -222.0 19.620 415.500 -329.5 43.230 333.000 -388.0 13.870 145.000 -246.0 18.530 150.000 -277.0 5.000 -38.0 1.215 -13.2 0.000 -9.3e+061 5.000 -37.7 0.176 -12.0 0.67 0.86 5 1RLO_A c.108.1.10 133.43.43.16 NONE -68.265 0 1 97.73% 23.08% OPTM -1063.813 -819.330 9.217 0.670 0.828 0.974 0.989 64.280 -101.9 11.880 300.500 -327.5 18.320 244.500 -350.5 3.310 22.310 -70.5 5.600 22.050 -98.4 8.590 65.870 -77.6 15.880 65.670 -113.4 18.750 121.340 -143.1 34.440 86.320 -163.2 -30.000 88.000 -215.0 -30.000 71.000 -220.0 23.840 534.000 -481.0 56.270 437.000 -504.0 15.660 163.000 -267.0 20.570 162.000 -285.0 5.000 -71.2 1.250 -15.5 0.000 -9.3e+061 5.000 -71.2 1.633 -15.2 0.25 0.86 RMSD table between hits (RMSDs are shaded according to similarity, up to 10Å )

1

2

3

4

5

1

0.00

2.34

3.35

2.79

1.69

2

2.34

0.00

3.47

2.98

2.76

3

3.35

3.47

0.00

3.35

3.44

4

2.79

2.98

3.35

0.00

3.26

5

1.69

2.76

3.44

3.26

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

44.40

100.00

100.00

2

100.00

100.00

48.84

100.00

100.00

3

44.40

48.84

100.00

60.62

54.30

4

100.00

100.00

60.62

100.00

55.00

5

100.00

100.00

54.30

55.00

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: 31.94% helical, 23.95% extended, 44.11% loops/other (query: 37.88% 23.11% 39.02%)

  SCOP classification:  [Alpha and beta proteins (a/b)]/[HAD-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.
1RLM_A               c.108.1.10    133.43.43.16           NONE   -68.064     0       1  98.86%  24.33%   OPTM    -1365.851     -868.380        9.571        0.712        0.903        0.968        0.991     64.000    -104.7    12.120   314.000    -331.5    18.730   260.500    -364.5     3.680    30.690     -81.2     6.050    29.520     -94.5     7.110    52.820     -73.2    20.610    74.600    -116.1    17.970   122.070    -141.1    34.630    91.740    -167.6   -30.000    85.000    -217.0   -30.000    66.000    -224.0    24.350   517.000    -448.0    52.770   423.000    -484.0    15.440   157.000    -270.0    20.620   154.000    -289.0     5.000     -73.5     0.693     -15.3    79.000     354.0     5.000     -73.5     0.602     -17.2    0.62  0.86

alignment source: OPTM
            EEEEEE---------------HHHHHHHHHHHH---EEEEE----HHHHHHHHHH-----EEEE---EEEE----EEEEE
Query:    2 IKLIATDIDGTLVKDGSLLIDPEYMSVIDRLIDKGIIFVVCSGRQFSSEFKLFAPIKHKLLYITDGGTVVRTPKEILKTY   81
Sbjct:    3 VKVIVTDMDGTFLNDAKTYNQPRFMAQYQELKKRGIKFVVASGNQYYQLISFFPELKDEISFVAENGALVYEHGKQLFHG   82
            -EEEE--------------HHHHHHHHHHHHHH--EEEEE----HHHH-----------EEEE----EEEE--EEEEE--

            ---HHHHHHHHHHHHH----EEEEEE---EEEE-----HHHHHHHHH-----EE---HHHH----EEEEEEE---HHHHH
Query:   82 PMDEDIWKGMCRMVRDELPACDYFAATPDFCFAEDGGSPIFHLLRDSYGFEMREVDDITRLDRNDIIKFTVFHPDKCEEL  161
Sbjct:   83 ELTRHESRIVIGELLKDKQLNFVACGLQSAYVSENAPEAFVALMAKHYH-RLKPVKDYQEID-DVLFKFSLNLPDEQIPL  160
            --HHHHHHHHHHHH-----EEEEEE---EEEE----HHHHHHHH----- EEEE-------- -EEEEEEE-----HHHH

            HHHHHHHHH---EEEEE----EEEEE-----HHHHHHHHHHH-----HHEEEE-----HHHHHHH---EEEE---HHHHH
Query:  162 CTPVFIPAWNKKAHLAAAGKEWVDCNAKGVSKWTALSYLIDRFDLLPDEVCCFGDNLNDIEMLQNAGISYAVSNARQEVI  241
Sbjct:  161 VIDKLHVALDGIMKPVTSGFGFIDLIIPGLHKANGISRLLKRWDLSPQNVVAIGDSGNDAEMLKMARYSFAMGNAAENIK  240
            HHHHHHH-----EEEE----EEEEE-----HHHHHHHHHHHH------EEEEE-----HHHHHH--EEEE-----HHHHH

            HHH----------HHHHHHHHHH
Query:  242 AAAKHTCAPYWENGVLSVLKSFL  264
Sbjct:  241 QIARYATDDNNHEGALNVIQAVL  263
            H--EE-------HHHHHHHHHHH

261 residues (98.86%) 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: 33.33% helical, 22.59% extended, 44.07% loops/other (query: 37.88% 23.11% 39.02%) SCOP classification: [Alpha and beta proteins (a/b)]/[HAD-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. 1RKQ_A c.108.1.10 133.43.43.16 NONE -68.159 0 1 98.48% 20.38% OPTM -1143.200 -815.270 8.562 0.677 0.890 0.962 0.977 57.200 -93.0 10.280 167.500 -217.5 11.510 154.500 -239.5 3.400 20.290 -71.0 4.360 16.320 -84.9 7.040 53.280 -64.9 11.350 42.670 -83.5 14.940 107.220 -132.4 33.170 75.360 -145.1 -30.000 92.000 -215.0 -30.000 71.000 -216.0 21.770 469.000 -403.0 47.620 375.000 -427.0 16.110 177.000 -272.0 23.550 155.000 -284.0 5.000 -56.0 -0.533 -15.8 0.000 -9.3e+061 5.000 -56.0 0.934 -9.3 0.66 0.90 alignment source: OPTM EEEEE---------------HHHHHHHHHHHH---EEEEE----HHHHHHHHHH- ----EEEE---EEEE--- -E Query: 3 KLIATDIDGTLVKDGSLLIDPEYMSVIDRLIDKGIIFVVCSGRQFSSEFKLFAPI---KHKLLYITDGGTVVRTPK--EI 77 Sbjct: 5 KLIAIDMDGTLLLPDH-TISPAVKNAIAAARARGVNVVLTTGRPYAGVHNYLKELHMEQPGDYCITYNGALVQKAADGST 83 EEEE------------ --HHHHHHHHHHHH---EEEEE--------HHHHHH--------EEEE----EEEE-----EE EEEE---HHHHHHHHHHHHH----EEEEEE---EEEE-- ---HHHHHHHHH-----EE---HHHH--- -EEEEEEE-- Query: 78 LKTYPMDEDIWKGMCRMVRDELPACDYFAATPDFCFAED-GGSPIFHLLRDSYGFEMREVDDITRLDRN-DIIKFTVFHP 155 Sbjct: 84 VAQTALSYDDYRFLEKLSREVGS--HFHALDRTTLYTANRDISYYTVHESFVATIPLVFCE-AEKMDPNTQFLKVMMIDE 160 EE----HHHHHHHHHHHHHH--E EEEE----EEE------HHHHHHHHH----EEE--- ----------EEEEE--H -HHHHHHHHHHHHHH---EEEEE----EEEEE-----HHHHHHHHHHH-----HHEEEE-----HHHHHHH---EEEE-- Query: 156 DKCEELCTPVFIPAWNKKAHLAAAGKEWVDCNAKGVSKWTALSYLIDRFDLLPDEVCCFGDNLNDIEMLQNAGISYAVSN 235 Sbjct: 161 PAILDQAIARIPQEVKEKYTVLKSAPYFLEILDKRVNKGTGVKSLADVLGIKPEEIMAIGDQENDIAMIEYAGVGVAVDN 240 HHHHHHHHH--HHHHHHEEEEEEE--EEEEEE----HHHHHHHHHHHH------EEEEE-----HHHHHH--EEEE---- -HHHHHHHH----------HHHHHHHH Query: 236 ARQEVIAAAKHTCAPYWENGVLSVLKS 262 Sbjct: 241 AIPSVKEVANFVTKSNLEDGVAFAIEK 267 -HHHHHH--EE-------HHHHHHHHH 260 residues (98.48%) 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: 36.68% helical, 22.78% extended, 40.54% loops/other (query: 37.88% 23.11% 39.02%) SCOP classification: [Alpha and beta proteins (a/b)]/[HAD-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. 1NF2_A c.108.1.10 133.43.43.16 NONE -68.189 0 1 97.73% 22.69% OPTM -1274.429 -854.320 8.888 0.696 0.841 0.953 0.968 52.660 -91.7 11.220 216.000 -269.0 12.940 182.500 -280.0 4.690 27.290 -82.2 5.820 23.090 -95.5 9.510 62.660 -86.5 13.010 50.850 -96.7 19.540 111.740 -143.3 30.460 73.360 -148.0 -30.000 86.000 -215.0 -30.000 73.000 -217.0 23.370 510.000 -442.0 49.260 397.000 -450.0 15.020 155.000 -270.0 21.780 149.000 -276.0 5.000 -54.0 0.217 -13.4 0.000 -9.3e+061 5.000 -54.0 -0.569 -11.4 0.77 0.97 alignment source: OPTM -EEEEEE---------------HHHHHHHHHHHH---EEEEE----HHHHHHHHHH- ----EEEE---EEEE---- EE Query: 1 MIKLIATDIDGTLVKDGSLLIDPEYMSVIDRLIDKGIIFVVCSGRQFSSEFKLFAPI-KHKLLYITDGGTVVRTPKE-IL 78 Sbjct: 1 MYRVFVFDLDGTLLND-NLEISEKDRRNIEKLSRK-CYVVFASGRMLVSTLNVEKKYFKRTFPTIAYNGAIVYLPEEGVI 78 ---EEEEE-------- -----HHHHHHHHHH--- -EEEEE----HHHHHHHHHHH------EEE----EEEE---EEE EEE---HHHHHHHHHHHHH----EEEEEE---EEEE-----HHHHHHHHH-----EE---HHHH--- -EEEEEEE---H Query: 79 KTYPMDEDIWKGMCRMVRDELPACDYFAATPDFCFAEDGGSPIFHLLRDSYGFEMREVDDITRLDRN-DIIKFTVFHPDK 157 Sbjct: 79 LNEKIPPEVAKDIIEYIKP--LNVHWQAYIDDVLYSEKDNEEIKSYARHSN-VDYRVEPNLSELVSKMGTTKLLLIDTPE 155 EE----HHHHHHHHHHH-- ----EEEE----EEE----HHHHHHHHH-- --EEE---HHHHHHHH---EEEEE--HH HHHHHHHHHHHHH---EEEEE----EEEEE-----HHHHHHHHHHH-----HHEEEE-----HHHHHHH---EEEE---H Query: 158 CEELCTPVFIPAWNKKAHLAAAGKEWVDCNAKGVSKWTALSYLIDRFDLLPDEVCCFGDNLNDIEMLQNAGISYAVSNAR 237 Sbjct: 156 RLDELKEILSERFKDVVKVFKSFPTYLEIVPKNVDKGKALRFLRERMNWKKEEIVVFGDNENDLFMFEEAGLRVAMENAI 235 HHHHHHHHHHHHH----EEEEEE--EEEEE-----HHHHHHHHHHHH------EEEEE--HHHHHHH----EEEE----- HHHHHHH----------HHHHHH Query: 238 QEVIAAAKHTCAPYWENGVLSVL 260 Sbjct: 236 EKVKEASDIVTLTNNDSGVSYVL 258 HHHHHH--EE-------HHHHHH 258 residues (97.73%) 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: 33.33% helical, 20.57% extended, 46.10% loops/other (query: 37.88% 23.11% 39.02%) SCOP classification: [Alpha and beta proteins (a/b)]/[HAD-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. 2B30_A c.108.1.10 133.43.43.16 NONE -68.204 0 1 99.62% 21.29% OPTM -1185.446 -887.590 8.083 0.691 0.902 0.913 0.986 60.490 -95.7 8.690 273.000 -225.5 13.630 149.000 -264.0 2.600 17.050 -66.8 2.890 -0.630 -89.2 5.140 46.030 -48.8 8.910 34.030 -86.4 13.510 72.650 -103.7 35.280 64.490 -140.9 -30.000 73.000 -210.0 -30.000 71.000 -222.0 19.620 415.500 -329.5 43.230 333.000 -388.0 13.870 145.000 -246.0 18.530 150.000 -277.0 5.000 -38.0 1.215 -13.2 0.000 -9.3e+061 5.000 -37.7 0.176 -12.0 0.67 0.86 alignment source: OPTM EEEEEE---------------HHHHHHHHHHHH---EEEEE----HHHHHHHHHH -----EEEE---EEEE-- Query: 2 IKLIATDIDGTLVKDGSLLIDPEYMSVIDRLIDKGIIFVVCSGRQFSSEFKLFAP-------IKHKLLYITDGGTVVRTP 74 Sbjct: 27 IKLLLIDFDGTLFVDKDIKVPSENIDAIKEAIEKGYMVSICTGRSKVGILSAFGEENLKKMNFYGMPGVYINGTIVYDQI 106 -EEEEE--------------HHHHHHHHHHHHH--EEEEE----HHHHHHHH-HHHHHHH------EEE----EEE---- --EEEEE---HHHHHHHHHHHHH- ---EEEEEE---EEEE-----HHHHHHHHH-----EE---HHHH-- --EEEEEE Query: 75 KEILKTYPMDEDIWKGMCRMVRDE-LPACDYFAATPDFCFAEDGGSPIFHLLRDSYGFEMREVDDITRLDR-NDIIKFTV 152 Sbjct: 107 GYTLLDETIETDVYAELISYLVEKNLVNQTIFHRGESNYVTEDNKY--ADFLQKMYSENRSIIIRHNEMLKYRTMNKLMI 184 -EEEE----HHHHHHHHHHHHH------EEEEE--EEEEE------ -HHHHHH-----EEE-HHHH-------EEEE- E---HHHHHHHHHHHHHH---EEEEE----EEEEE-----HHHHHHHHHHH-----HHEEEE-----HHHHHHH---EEE Query: 153 FHPDKCEELCTPVFIPAWNKKAHLAAAGKEWVDCNAKGVSKWTALSYLIDRFDLLPDEVCCFGDNLNDIEMLQNAGISYA 232 Sbjct: 185 VLDPSESKTVIGNLKQKFKNKLTIFTTYNGHAEVTKLGHDKYTGINYLLKHYNISNDQVLVVGDAENDIAMLSNFKYSFA 264 -----HHHHHHHHHHH----EEEEE-----EEEEE----HHHHHHHHHHH-------EEEEE-----HHHHH---EEEE- E---HHHHHHHH----- -----HHHHHHHHHH Query: 233 VSNARQEVIAAAKHTCA-PYWENGVLSVLKSFL 264 Sbjct: 265 VANATDSAKSHAKCVLPVSHREGAVAYLLKKVF 297 ----HHHHHH--EE--------HHHHHHHHHH- 263 residues (99.62%) 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: 31.42% helical, 23.75% extended, 44.83% loops/other (query: 37.88% 23.11% 39.02%) SCOP classification: [Alpha and beta proteins (a/b)]/[HAD-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. 1RLO_A c.108.1.10 133.43.43.16 NONE -68.265 0 1 97.73% 23.08% OPTM -1063.813 -819.330 9.217 0.670 0.828 0.974 0.989 64.280 -101.9 11.880 300.500 -327.5 18.320 244.500 -350.5 3.310 22.310 -70.5 5.600 22.050 -98.4 8.590 65.870 -77.6 15.880 65.670 -113.4 18.750 121.340 -143.1 34.440 86.320 -163.2 -30.000 88.000 -215.0 -30.000 71.000 -220.0 23.840 534.000 -481.0 56.270 437.000 -504.0 15.660 163.000 -267.0 20.570 162.000 -285.0 5.000 -71.2 1.250 -15.5 0.000 -9.3e+061 5.000 -71.2 1.633 -15.2 0.25 0.86 alignment source: OPTM EEE---------------HHHHHHHHHHHH---EEEEE----HHHHHHHHHH-----EEEE---EEEE----EEEEE--- Query: 5 IATDIDGTLVKDGSLLIDPEYMSVIDRLIDKGIIFVVCSGRQFSSEFKLFAPIKHKLLYITDGGTVVRTPKEILKTYPMD 84 Sbjct: 5 VIVTMDGTFLNDAKTYNQPRFMAQYQELKKRGIKFVVASGNQYYQLISFFPELKDEISFVAENGALVYEHGKQLFHGELT 84 EE--------------HHHHHHHHHHHHH---EEEEE----HHHH-----------EEEE----EEEE--EEEEE----H HHHHHHHHHHHHH----EEEEEE---EEEE-----HHHHHHHHH-----EE---HHHH----EEEEEEE---HHHHHHHH Query: 85 EDIWKGMCRMVRDELPACDYFAATPDFCFAEDGGSPIFHLLRDSYGFEMREVDDITRLDRNDIIKFTVFHPDKCEELCTP 164 Sbjct: 85 RHESRIVIGELLKD-KQLNFVACGLQSAYVSENAPEAFVALMAKHYHRLKPVKDYQEID-DVLFKFSLNLPDEQIPLVID 162 HHHHHHHHHHH--- ---EEEEE---EEEE----HHHHHHH------EEEE-------- -EEEEEEEEE---HHHHHHH HHHHHH---EEEEE----EEEEE-----HHHHHHHHHHH-----HHEEEE-----HHHHHHH---EEEE---HHHHHHHH Query: 165 VFIPAWNKKAHLAAAGKEWVDCNAKGVSKWTALSYLIDRFDLLPDEVCCFGDNLNDIEMLQNAGISYAVSNARQEVIAAA 244 Sbjct: 163 KLHVALDGIMKPVTSGFGFIDLIIPGLHKANGISRLLKRWDLSPQNVVAIGDSGNDAEMLKMARYSFAMGNAAENIKQIA 242 HHHHH----EEEE----EEEEE-----HHHHHHHHHHHH------EEEEE-----HHHHHH--EEEE-----HHHHHH-- ----------HHHHHHHHHH Query: 245 KHTCAPYWENGVLSVLKSFL 264 Sbjct: 243 RYATDDNNHEGALNVIQAVL 262 EE-------HHHHHHHHHH- 258 residues (97.73%) of query sequence aligned
DONE: Mon Aug 18 10:48:39 2008 EST