LOOPP parallel driver v5.0 (06/13/08 15:45 EDT) with LOOPP v3.0 (compiled Jun 14 2008 10:29:14)
     [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:Wed Jun 18 18:27:17 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 T0441
    --> 342 residues, sequence name: T0441
   Database: T:\CBSU\blastdb\20080108\nr


 -> 23 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 18 192 21 1 1 0 3 2
5 dynamic database entries created: 2HSG_A 1ZVV_A 1RZR_G 1RZR_D 1JH9_A WARNING: 2 non-fatal errors encountered, please check the log file above RESULTS secondary structure prediction shows 43.86% helical, 16.67% extended and 39.47% loops/other homologs/domains used: 0 query sequence T0441 all homologs found total number of entries processed: 305 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 2O20_A not_found 16.16.16.16 NONE -88.815 0 1 79.24% 25.00% OPTM -1276.732 -784.780 8.342 0.685 0.879 0.990 0.994 72.000 -113.8 11.130 215.000 -159.0 20.910 277.000 -374.5 6.720 31.670 0.3 5.120 14.410 -75.9 16.200 80.810 -8.5 14.770 50.710 -94.8 31.830 80.550 -91.1 40.340 79.120 -167.4 -30.000 35.000 -182.0 -30.000 72.000 -250.0 14.950 362.000 -217.0 45.590 393.000 -439.0 4.890 72.000 -75.0 21.360 120.000 -260.0 5.000 -75.4 -1.833 -10.7 0.000 -9.3e+061 5.000 -1.0 0.000 -36.7 0.19 0.93 2 3C3K_A not_found 16.16.16.16 NONE -88.920 0 1 78.07% 18.01% OPTM -1253.260 -710.130 7.499 0.679 0.881 0.971 0.989 61.170 -103.4 4.020 79.000 -23.5 9.940 122.000 -231.0 1.610 11.180 24.7 4.420 9.460 -67.3 5.990 35.660 41.9 13.090 36.800 -79.6 18.510 52.900 -51.2 37.370 68.990 -157.2 -30.000 31.000 -170.0 -30.000 58.000 -238.0 14.250 353.000 -188.0 51.450 372.000 -415.0 4.680 92.000 -71.0 18.870 97.000 -244.0 5.000 -58.7 -0.085 -15.7 0.000 -9.3e+061 5.000 -61.0 0.623 -11.7 0.20 0.90 3 1SXG_A c.93.1.1 20.9.9.9 NONE -88.941 0 1 79.82% 21.25% OPTM -1240.562 -663.210 8.863 0.676 0.909 0.989 0.996 66.050 -110.9 6.530 145.000 -113.5 15.380 215.500 -310.0 7.500 25.540 -6.2 6.730 21.170 -81.8 15.520 68.800 -5.8 16.540 52.680 -96.0 28.200 74.140 -91.3 38.620 75.240 -166.4 -30.000 33.000 -182.0 -30.000 68.000 -249.0 18.160 412.000 -275.0 60.230 448.000 -494.0 4.660 78.000 -108.0 22.970 143.000 -297.0 5.000 -85.5 -1.715 -12.6 -35.000 546.0 5.000 -88.0 0.613 -19.1 0.18 0.86 4 c.93.1.1.2_A c.93.1.1 20.9.9.9 NONE -88.999 0 1 78.65% 17.04% OPTM -1289.652 -725.190 7.702 0.656 0.798 0.987 0.991 64.040 -104.4 4.570 94.000 -45.0 9.930 152.000 -239.5 5.580 21.410 8.6 4.290 12.280 -75.1 11.820 64.360 20.9 11.610 43.820 -83.0 30.270 74.100 -72.3 35.090 68.870 -160.7 -30.000 31.000 -176.0 -30.000 63.000 -245.0 13.800 320.000 -198.0 46.660 375.000 -427.0 4.970 89.000 -65.0 20.090 120.000 -246.0 5.000 -49.7 0.926 -15.1 -84.000 586.0 5.000 -49.7 -0.328 -10.3 0.15 0.87 5 1EFA_A a.35.1.5 10.7.7.7 NONE -89.215 0 1 95.91% 22.49% OPTM -1422.247 -794.070 10.763 0.626 0.769 0.976 0.979 79.400 -124.8 10.480 308.000 -352.0 15.390 280.500 -395.5 7.180 45.500 -62.6 7.070 24.480 -87.3 15.010 103.230 -84.9 18.770 74.010 -113.2 32.250 113.300 -178.0 39.010 98.650 -199.2 -30.000 90.000 -284.0 -30.000 83.000 -294.0 29.640 670.000 -585.0 66.360 578.000 -643.0 10.830 157.000 -214.0 19.420 122.000 -249.0 5.000 -76.2 0.694 -13.6 0.000 -9.3e+061 5.000 -76.2 -0.229 -24.5 0.03 0.98 RMSD table between hits (RMSDs are shaded according to similarity, up to 10Å )

1

2

3

4

5

1

0.00

2.27

2.00

2.71

2.61

2

2.27

0.00

1.97

2.37

2.28

3

2.00

1.97

0.00

2.16

2.02

4

2.71

2.37

2.16

0.00

0.61

5

2.61

2.28

2.02

0.61

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

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



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: 41.11% helical, 17.41% extended, 41.48% loops/other (query: 43.86% 16.67% 39.47%)

  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.
2O20_A               not_found     16.16.16.16            NONE   -88.815     0       1  79.24%  25.00%   OPTM    -1276.732     -784.780        8.342        0.685        0.879        0.990        0.994     72.000    -113.8    11.130   215.000    -159.0    20.910   277.000    -374.5     6.720    31.670       0.3     5.120    14.410     -75.9    16.200    80.810      -8.5    14.770    50.710     -94.8    31.830    80.550     -91.1    40.340    79.120    -167.4   -30.000    35.000    -182.0   -30.000    72.000    -250.0    14.950   362.000    -217.0    45.590   393.000    -439.0     4.890    72.000     -75.0    21.360   120.000    -260.0     5.000     -75.4    -1.833     -10.7     0.000 -9.3e+061     5.000      -1.0     0.000     -36.7    0.19  0.93

alignment source: OPTM
 +++ there is a problem with all-atom model, click here for details
            ---EEEEEE-----HHHHHHHHHHHHHHHH---EEEEE-----HHHHHHHHHHHHH----EEEEE-----HHHHHHHHH-
Query:   69 ESYSIALIIPSLFEKACAHFLPSFQQALNKAGYQLLLGYSDYSIEQEEKLLSTFLESRPAGVVLFGSEHSQRTHQLLEAS  148
Sbjct:   62 RTTTVGVILPTITSTYFAAITRGVDDIASMYKYNMILANSDNDVEKEEKVLETFLSKQVDGIVYMGSSLDEKIRTSLKNS  141
            ---EEEEEE-----HHHHHHHHHHHHHHHH---EEEEEE----HHHHHHHHHHHHH----EEEE------HHHHHHHHHH

            ---EEEEE---------EEEE-HHHHHHHHHHHHHHH---EEEEEE-----HHHHHHHHHHHHHHHH--------EEE--
Query:  149 NTPVLEIAELSSKASYLNIGVDHFEVGKACTRHLIEQGFKNVGFIGARGNHSTLQRQLHGWQSAMIENYLTPDHFLTTHE  228
Sbjct:  142 RTPVVLVGTIDGDKEIPSVNIDYHLAAYQSTKKLIDSGNKKIAYIMGSLKDVENTERMVGYQEALLEANIEFDENLVFEG  221
            ---EEEE----------EEE--HHHHHHHHHHHHHH-----EEEE------HHHHHHHHHHHHHHHH---------EE--

            ---HHHHHHHHHHHHH------EEEE--HHHHHHHHHHHHH--------EEEEE---HHHHHH-----EEE---HHHHHH
Query:  229 APSSQLGAEGLAKLLLRDSSLNALVCSHEEIAIGALFECHRRVLKVPTDIAIICLEGSSMGEHAYPSLTSAEFDYERMGT  308
Sbjct:  222 NYSYEQGKALAERLLERG--ATSAVVSHDTVAVGLLSAMMDKGVKVPEDFEIISGANSPITQYTYPTLTSVNQPLYDLGA  299
            ---HHHHHHHHHHHHH--  --EEEE--HHHHHHHHHHHHH---------EEEE--------------EEEE--HHHHHH

            HHHHHHHHHH---- ----EEE--EEEEE----
Query:  309 KAAEKLLHAIKGEP-EERPTSMGFKLKRRASTA  340
Sbjct:  300 VAMRLLTKLMLKEDVEQNQLVLDHEIFSRRSTK  332
            HHHHHHHHHH--------EEE---EEE------

271 residues (79.24%) 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: 40.23% helical, 18.05% extended, 41.73% loops/other (query: 43.86% 16.67% 39.47%) 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. 3C3K_A not_found 16.16.16.16 NONE -88.920 0 1 78.07% 18.01% OPTM -1253.260 -710.130 7.499 0.679 0.881 0.971 0.989 61.170 -103.4 4.020 79.000 -23.5 9.940 122.000 -231.0 1.610 11.180 24.7 4.420 9.460 -67.3 5.990 35.660 41.9 13.090 36.800 -79.6 18.510 52.900 -51.2 37.370 68.990 -157.2 -30.000 31.000 -170.0 -30.000 58.000 -238.0 14.250 353.000 -188.0 51.450 372.000 -415.0 4.680 92.000 -71.0 18.870 97.000 -244.0 5.000 -58.7 -0.085 -15.7 0.000 -9.3e+061 5.000 -61.0 0.623 -11.7 0.20 0.90 alignment source: OPTM +++ there is a problem with all-atom model, click here for details ---EEEEEE-----HHHHHHHHHHHHHHHH---EEEEE-----HHHHHHHHHHHHH----EEEEE-- ---HHHHHHHHH Query: 69 ESYSIALIIPSLFEKACAHFLPSFQQALNKAGYQLLLGYSDYSIEQEEKLLSTFLESRPAGVVLFGS-EHSQRTHQLLEA 147 Sbjct: 7 KTGMLLVMVSNIANPFCAAVVKGIEKTAEKNGYRILLCNTESDLARSRSCLTLLSGKMVDGVITMDALSELPELQNIIGA 86 ---EEEEEE-----HHHHHHHHHHHHHHHH---EEEEEE----HHHHHHH-HHHH-----EEEE------HHHHHHHH-- ----EEEEE---------EEEE-HHHHHHHHHHHHHHH---EEEEEE-----HHHHHHHHHHHHHHHH--------EEE- Query: 148 SNTPVLEIAELSSKASYLNIGVDHFEVGKACTRHLIEQGFKNVGFIGARGNHSTLQRQLHGWQSAMIENYLTPDHFLTTH 227 Sbjct: 87 --FPWVQCAEYDPLSTVSSVSIDDVAASEYVVDQLVKSGKKRIALINHDLAYQYAQHRESGYLNRLKFHGLDYS-RISYA 163 --EEEE----------EEE--HHHHHHHHHHHHHH-----EEEEE-----HHHHHHHHHHHHHHHHH----- EEEE- ----HHHHHHHHHHHHH------EEEE--HHHHHHHHHHHHH--------EEEEE---HHHHHH-----EEE---HHHHH Query: 228 EAPSSQLGAEGLAKLLLRDSSLNALVCSHEEIAIGALFECHRRVLKVPTDIAIICLEGSSMGEHAYPSLTSAEFDYERMG 307 Sbjct: 164 ENLDYMAGKLATFSLLKSAVKPDAIFAISDVLAAGAIQALTESGLSIPQDVAVVGFDGVDISQITVPALTTVQQPSEQIG 243 ----HHHHHHHHHHHH-------EEEE--HHHHHHHHHHHHH---------EEE----------------EEE--HHHHH HHHHHHHHHHH--------EEE--EEEEE---- Query: 308 TKAAEKLLHAIKGEPEERPTSMGFKLKRRASTA 340 Sbjct: 244 MKAVSLLLEQIHSDV---HHLLPWKFVRRQSSE 273 HHHHHHHHHHH---- EEE---EEE------ 267 residues (78.07%) 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: 39.78% helical, 19.34% extended, 40.88% loops/other (query: 43.86% 16.67% 39.47%) SCOP classification: [Alpha and beta proteins (a/b)]/[Periplasmic binding protein-like I] 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. 1SXG_A c.93.1.1 20.9.9.9 NONE -88.941 0 1 79.82% 21.25% OPTM -1240.562 -663.210 8.863 0.676 0.909 0.989 0.996 66.050 -110.9 6.530 145.000 -113.5 15.380 215.500 -310.0 7.500 25.540 -6.2 6.730 21.170 -81.8 15.520 68.800 -5.8 16.540 52.680 -96.0 28.200 74.140 -91.3 38.620 75.240 -166.4 -30.000 33.000 -182.0 -30.000 68.000 -249.0 18.160 412.000 -275.0 60.230 448.000 -494.0 4.660 78.000 -108.0 22.970 143.000 -297.0 5.000 -85.5 -1.715 -12.6 -35.000 546.0 5.000 -88.0 0.613 -19.1 0.18 0.86 alignment source: OPTM +++ there is a problem with all-atom model, click here for details ----EEEEEE-----HHHHHHHHHHHHHHHH---EEEEE-----HHHHHHHHHHHHH----EEEEE-----HHHHHHHHH Query: 68 AESYSIALIIPSLFEKACAHFLPSFQQALNKAGYQLLLGYSDYSIEQEEKLLSTFLESRPAGVVLFGSEHSQRTHQLLEA 147 Sbjct: 58 KKTTTVGVIIPDISNIFYAELARGIEDIATMYKYNIILSNSDQNQDKELHLLNNMLGKQVDGIIFMSGNVTEEHVEELKK 137 ----EEEEEE-----HHHHHHHHHHHHHHHHH--EEEEEE----HHHHHHHHHHHHH----EEEE------HHHHHHHHH ----EEEEE---------EEEE-HHHHHHHHHHHHHHH---EEEEEE-----HHHHH HHHHHHHHHHH--------EEE Query: 148 SNTPVLEIAELSSKASYLNIGVDHFEVGKACTRHLIEQGFKNVGFIGARGNHSTLQR-QLHGWQSAMIENYLTPDHFLTT 226 Sbjct: 138 SPVPVVLAASIESTNQIPSVTIDYEQAAFDAVQSLIDSGHKNIAFVSGTLEEPINHAKKVKGYKRALTESGLPVRDSYIV 217 ----EEEE----------EEEE-HHHHHHHHHHHHH------EEEEE-----HHHH--HHHHHHHHHHH---------EE -----HHHHHHHHHHHHH------EEEE--HHHHHHHHHHHHH--------EEEEE---HHHHHH-----EEE---HHHH Query: 227 HEAPSSQLGAEGLAKLLLRDSSLNALVCSHEEIAIGALFECHRRVLKVPTDIAIICLEGSSMGEHAYPSLTSAEFDYERM 306 Sbjct: 218 EGDYTYDSGIEAVEKLLEEDEKPTAIFVGTDEMALGVIHGAQDRGLNVPNDLEIIGFDNTRLSTMVRPQLTSVVQPMYDI 297 E----HHHHHHHHHHHH-------EEEE--HHHHHHHHHHHHHH--------EEEEEE------------EEEE--HHHH HHHHHHHHHHHH---- ----EEE--EEEEE---- Query: 307 GTKAAEKLLHAIKGEP-EERPTSMGFKLKRRASTA 340 Sbjct: 298 GAVAMRLLTKYMNKETVDSSIVQLPHRIEFRQSTK 332 HHHHHHHHHHHH--------EEEE--EEE------ 273 residues (79.82%) 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: 40.67% helical, 19.78% extended, 39.55% loops/other (query: 43.86% 16.67% 39.47%) SCOP classification: [Alpha and beta proteins (a/b)]/[Periplasmic binding protein-like I] name SCOP SCOP_stat confidence score homolog hits length seq. align ENE TE13 old CGenergy SIFT2 tma1 tma2 |-------OPTM------| |-------SEQ (global)-------| |-------SEQ (local)-------| |-------TRD (global)-------| |-------TRD (local)-------| |-------TRS (global)-------| |-------TRS (local)-------| |-------TSS (global)-------| |-------TSS (local)-------| |-------TSC (global)-------| |-------TSC (local)-------| |-------PSM (global)-------| |-------PSM (local)-------| |-------SRF (global)-------| |-------SRF (local)-------| |-------TBLS------| |-------KMER------| |-------CFTR------| |-------TBSS------| |-------SBLS------| sec. str. (%) ident. src. all-atom all-atom score all-atom all-atom all-atom all-atom r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy pos. comp. c.93.1.1.2_A c.93.1.1 20.9.9.9 NONE -88.999 0 1 78.65% 17.04% OPTM -1289.652 -725.190 7.702 0.656 0.798 0.987 0.991 64.040 -104.4 4.570 94.000 -45.0 9.930 152.000 -239.5 5.580 21.410 8.6 4.290 12.280 -75.1 11.820 64.360 20.9 11.610 43.820 -83.0 30.270 74.100 -72.3 35.090 68.870 -160.7 -30.000 31.000 -176.0 -30.000 63.000 -245.0 13.800 320.000 -198.0 46.660 375.000 -427.0 4.970 89.000 -65.0 20.090 120.000 -246.0 5.000 -49.7 0.926 -15.1 -84.000 586.0 5.000 -49.7 -0.328 -10.3 0.15 0.87 alignment source: OPTM +++ there is a problem with all-atom model, click here for details --EEEEEE-----HHHHHHHHHHHHHHHH---EEEEE----- HHHHHHHHHHHHH----EEEEE-----HHHHHHHHH- Query: 70 SYSIALIIPSLFEKACAHFLPSFQQALNKAGYQLLLGYSDYS-IEQEEKLLSTFLESRPAGVVLFGSEHSQRTHQLLEAS 148 Sbjct: 61 SLLIGVATSSLALHAPSQIVAAIKSRADQLGASVVVSMVERSGVEACKTAVHNLLAQRVSGLIINYPLDDQDAIAVEAAC 140 --EEEEEE-----HHHHHHHHHHHHHHHH---EEEEEE-----HHHHHHHHHHHHH----EEEEE----HHHHHHHHHH- ---EEEEE---------EEEE-HHHHHHHHHHHHHHH---EEEEEE-----HHHHHHHHHHHHHHHH--------EEE-- Query: 149 NTPVLEIAELSSKASYLNIGVDHFEVGKACTRHLIEQGFKNVGFIGARGNHSTLQRQLHGWQSAMIENYLTPDHFLTTHE 228 Sbjct: 141 TNVPALFLDVSDQTPINSIIFSHEDGTRLGVEHLVALGHQQIALLAGPLSSVSARLRLAGWHKYLTRNQIQP--IAEREG 218 ----EEE----------EEEE-HHHHHHHHHHHHHH-----EEEEE-----HHHHHHHHHHHHHHH------ -EEEE- ---HHHHHHHHHHHHH------EEEE--HHHHHHHHHHHHH--------EEEEE---HHHHHH-----EEE---HHHHHH Query: 229 APSSQLGAEGLAKLLLRDSSLNALVCSHEEIAIGALFECHRRVLKVPTDIAIICLEGSSMGEHAYPSLTSAEFDYERMGT 308 Sbjct: 219 DWSAMSGFQQTMQMLNEGIVPTAMLVANDQMALGAMRAITESGLRVGADISVVGYDDTEDSSCYIPPLTTIKQDFRLLGQ 298 ---HHHHHHHHHHHHH------EEEE--HHHHHHHHHHHH----------EEEEEE-------------EEE--HHHHHH HHHHHHHHHH--------EEE--EEEEE--- Query: 309 KAAEKLLHAIKGEPEERPTSMGFKLKRRAST 339 Sbjct: 299 TSVDRLLQLSQGQAVKGNQLLPVSLVKRKTT 329 HHHHHHHHHH-------EEEE--EEE----- 269 residues (78.65%) 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: 43.43% helical, 16.21% extended, 40.37% loops/other (query: 43.86% 16.67% 39.47%) SCOP classification: [All alpha proteins]/[lambda repressor-like DNA-binding domains] name SCOP SCOP_stat confidence score homolog hits length seq. align ENE TE13 old CGenergy SIFT2 tma1 tma2 |-------OPTM------| |-------SEQ (global)-------| |-------SEQ (local)-------| |-------TRD (global)-------| |-------TRD (local)-------| |-------TRS (global)-------| |-------TRS (local)-------| |-------TSS (global)-------| |-------TSS (local)-------| |-------TSC (global)-------| |-------TSC (local)-------| |-------PSM (global)-------| |-------PSM (local)-------| |-------SRF (global)-------| |-------SRF (local)-------| |-------TBLS------| |-------KMER------| |-------CFTR------| |-------TBSS------| |-------SBLS------| sec. str. (%) ident. src. all-atom all-atom score all-atom all-atom all-atom all-atom r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy zscore r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy r-energy energy pos. comp. 1EFA_A a.35.1.5 10.7.7.7 NONE -89.215 0 1 95.91% 22.49% OPTM -1422.247 -794.070 10.763 0.626 0.769 0.976 0.979 79.400 -124.8 10.480 308.000 -352.0 15.390 280.500 -395.5 7.180 45.500 -62.6 7.070 24.480 -87.3 15.010 103.230 -84.9 18.770 74.010 -113.2 32.250 113.300 -178.0 39.010 98.650 -199.2 -30.000 90.000 -284.0 -30.000 83.000 -294.0 29.640 670.000 -585.0 66.360 578.000 -643.0 10.830 157.000 -214.0 19.420 122.000 -249.0 5.000 -76.2 0.694 -13.6 0.000 -9.3e+061 5.000 -76.2 -0.229 -24.5 0.03 0.98 alignment source: OPTM +++ there is a problem with all-atom model, click here for details ----HHHHHHH----HHHHHEEE-------HHHHHHHHHHHHH-----HHHHHHHH-----EEEEEE-----HHHHHHHH Query: 11 GNVTLADVAKQAGVGTMTVSRALRTPELVSDKLREKIQQVVDELGYIPNKAAGALASAESYSIALIIPSLFEKACAHFLP 90 Sbjct: 2 KPVTLYDVAEYAGVSYQTVSRVVNQASHVSAKTREKVEAAMAELNYIPNRVAQQLAGKQSLLIGVATSSLALHAPSQIVA 81 ----HHHHHH-----HHHHHHHH--------HHHHHHHHHHHHH-----HHHHHH------EEEEEE-----HHHHHHHH HHHHHHHH---EEEEE----- HHHHHHHHHHHHH----EEEEE-----HHHHHHHHH----EEEEE---------EEEE Query: 91 SFQQALNKAGYQLLLGYSDYS-IEQEEKLLSTFLESRPAGVVLFGSEHSQRTHQLLEASNTPVLEIAELSSKASYLNIGV 169 Sbjct: 82 AIKSRADQLGASVVVSMVERSGVEACKTAVHNLLAQRVSGLIINYPLDDQDAIAVEAACTNVPALFLDVSDQTPINSIIF 161 HHHHHHHH---EEEEEE-----HHHHHHHHHHHHH----EEEEE----HHHHHHHHHH-----EEE----------EEEE -HHHHHHHHHHHHHHH---EEEEEE-----HHHHHHHHHHHHHHHH--------EEE-----HHHHHHHHHHHHH----- Query: 170 DHFEVGKACTRHLIEQGFKNVGFIGARGNHSTLQRQLHGWQSAMIENYLTPDHFLTTHEAPSSQLGAEGLAKLLLRDSSL 249 Sbjct: 162 SHEDGTRLGVEHLVALGHQQIALLAGPLSSVSARLRLAGWHKYLTRNQIQP--IAEREGDWSAMSGFQQTMQMLNEGIVP 239 -HHHHHHHHHHHHHH-----EEEEE-----HHHHHHHHHHHHHHH------ -EEEE----HHHHHHHHHHHHH----- -EEEE--HHHHHHHHHHHHH--------EEEEE---HHHHHH-----EEE---HHHHHHHHHHHHHHHH--------EEE Query: 250 NALVCSHEEIAIGALFECHRRVLKVPTDIAIICLEGSSMGEHAYPSLTSAEFDYERMGTKAAEKLLHAIKGEPEERPTSM 329 Sbjct: 240 TAMLVANDQMALGAMRAITESGLRVGADISVVGYDDTEDSSCYIPPLTTIKQDFRLLGQTSVDRLLQLSQGQAVKGNQLL 319 -EEEE--HHHHHHHHHHHH----------EEEEEE-------------EEE--HHHHHHHHHHHHHHHH-------EEEE --EEEEE--- Query: 330 GFKLKRRAST 339 Sbjct: 320 PVSLVKRKTT 329 --EEE----- 328 residues (95.91%) of query sequence aligned
DONE: Thu Jun 19 04:21:47 2008 EST