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 15:50:25 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 T0416
    --> 332 residues, sequence name: T0416
   Database: T:\CBSU\blastdb\20080108\nr


 -> 141 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 0 105 119 16 0 6 0 1
5 dynamic database entries created: 1G3I_A 2QG6_A 1G4A_E 1E94_E 1DO2_A RESULTS secondary structure prediction shows 53.61% helical, 9.04% extended and 37.35% loops/other homologs/domains used: 0 query sequence T0416 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 3CRM_A not_found 74.74.74.74 NONE -87.965 0 1 69.58% 26.56% OPTM -742.667 -330.190 7.796 0.345 0.235 0.720 0.925 64.940 -94.7 14.800 299.000 -191.5 27.120 281.000 -375.5 1.440 10.330 51.6 -0.400 1.630 -36.3 13.700 63.220 39.6 16.900 39.170 -66.7 22.790 69.230 -29.2 18.660 49.640 -98.6 -30.000 23.000 -116.0 -30.000 33.000 -166.0 39.280 666.000 -518.0 73.250 529.000 -588.0 3.790 44.000 12.0 10.760 70.000 -177.0 5.000 -72.4 -3.938 -17.7 0.000 -9.3e+061 5.000 -1.0 1.826 -38.0 0.39 0.79 2 2ZE5_A not_found 74.74.74.74 NONE -88.225 0 1 66.27% 15.56% OPTM -714.212 -233.810 2.338 0.399 0.494 0.849 0.856 28.170 -54.4 2.930 36.000 69.5 4.040 56.000 -151.0 -0.730 -0.570 84.0 0.410 -2.300 -40.8 0.270 7.730 125.2 0.470 0.410 -28.9 7.450 27.270 42.0 14.360 26.030 -83.6 -30.000 27.000 -91.0 -30.000 41.000 -160.0 5.910 119.000 61.0 10.090 79.000 -135.0 2.200 53.000 59.0 9.920 57.000 -145.0 5.000 -7.2 -0.179 -20.0 0.000 -9.3e+061 5.000 -7.3 -1.180 -6.3 0.39 0.78 3 2JAQ_A not_found 74.74.74.74 NONE -88.320 0 1 56.63% 11.76% OPTM -711.247 -403.100 0.878 0.379 0.159 0.586 0.934 14.330 -45.7 3.840 85.000 155.0 -0.220 -13.000 -99.5 -0.600 4.290 118.3 -0.650 0.350 -31.3 -0.500 5.700 169.1 -0.200 2.260 -24.5 1.920 5.090 112.2 9.470 7.510 -66.4 -30.000 20.000 -40.0 -30.000 3.000 -125.0 4.480 96.000 177.0 1.780 8.000 -70.0 -0.170 21.000 192.0 3.750 11.000 -96.0 5.000 -4.3 -0.211 -12.6 0.000 -9.3e+061 5.000 -4.2 0.114 -3.0 0.24 0.87 4 1KNQ_A c.37.1.17 145.75.75.1 NONE -88.342 0 1 51.20% 11.93% OPTM -510.358 -243.330 0.473 0.413 0.242 0.679 0.849 13.950 -38.9 2.330 52.500 240.5 1.850 -25.000 -110.5 -0.240 -1.510 132.9 -1.110 -1.470 -26.9 0.510 6.030 180.3 0.910 3.760 -24.5 5.670 12.860 117.7 6.200 9.380 -49.8 -30.000 10.000 1.0 -30.000 5.000 -108.0 4.340 62.000 233.0 4.040 29.000 -75.0 -0.040 14.000 271.0 5.290 16.000 -80.0 5.000 -1.1 -0.597 -15.1 -13.000 346.0 5.000 -1.1 -0.658 -3.1 0.70 0.74 5 2QGN_A not_found 74.74.74.74 NONE -88.405 0 1 70.48% 35.05% OPTM -633.176 -457.130 7.028 0.415 0.135 0.705 0.929 61.180 -88.7 29.070 597.000 -481.5 31.080 400.500 -533.0 0.300 5.520 58.0 0.960 4.520 -41.9 10.410 63.720 37.3 10.080 36.020 -56.8 15.080 54.550 -9.6 15.410 37.400 -92.4 -30.000 28.000 -102.0 -30.000 38.000 -161.0 36.100 720.000 -543.0 59.420 550.000 -610.0 4.030 61.000 30.0 9.110 59.000 -150.0 5.000 -74.0 -5.124 -10.1 0.000 -9.3e+061 5.000 -1.0 0.763 -59.4 0.39 0.80 RMSD table between hits (RMSDs are shaded according to similarity, up to 10Å )

1

2

3

4

5

1

0.00

65.01

60.92

68.17

24.06

2

65.01

0.00

24.90

18.79

69.72

3

60.92

24.90

0.00

18.71

61.48

4

68.17

18.79

18.71

0.00

69.63

5

24.06

69.72

61.48

69.63

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

49.78

12.58

17.21

37.17

2

49.78

100.00

16.89

19.81

48.89

3

12.58

16.89

100.00

18.40

11.44

4

17.21

19.81

18.40

100.00

18.69

5

37.17

48.89

11.44

18.69

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

53.33

15.23

22.79

39.47

2

53.33

100.00

20.44

34.91

51.56

3

15.23

20.44

100.00

22.64

16.99

4

22.79

34.91

22.64

100.00

22.43

5

39.47

51.56

16.99

22.43

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: 47.84% helical, 13.79% extended, 38.36% loops/other (query: 53.61%  9.04% 37.35%)

  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.
3CRM_A               not_found     74.74.74.74            NONE   -87.965     0       1  69.58%  26.56%   OPTM     -742.667     -330.190        7.796        0.345        0.235        0.720        0.925     64.940     -94.7    14.800   299.000    -191.5    27.120   281.000    -375.5     1.440    10.330      51.6    -0.400     1.630     -36.3    13.700    63.220      39.6    16.900    39.170     -66.7    22.790    69.230     -29.2    18.660    49.640     -98.6   -30.000    23.000    -116.0   -30.000    33.000    -166.0    39.280   666.000    -518.0    73.250   529.000    -588.0     3.790    44.000      12.0    10.760    70.000    -177.0     5.000     -72.4    -3.938     -17.7     0.000 -9.3e+061     5.000      -1.0     1.826     -38.0    0.39  0.79

alignment source: OPTM
 +++ there is a problem with all-atom model, click here for details
            ----EEEEE------HHHHHHHHHHH---EEEE---EEEH-----------HHHHHH---EEE----------HHHHHHH
Query:    5 TKPFLIVIVGPTASGKTELSIEVAKKFNGEIISGDSMQVYQGMDIGTAKVTTEEMEGIPHYMIDILPPDASFSAYEFKKR   84
Sbjct:    3 SLPPAIFLMGPTAAGKTDLAMALADALPCELISVDSALIYRGMDIGTAKPSRELLARYPHRLIDIRDPAESYSAAEFRAD   82
            ---EEEEEE------HHHHHHHHHHH--EEEEEE-----------------HHHHHH--EE------------HHHHHHH

            HHHHHHHHHH----EEEE---HHHHHHHHH----------HHHHHHHHHHHHHHHH--HHHHHHHHHH--HHHHHH----
Query:   85 AEKYIKDITRRGKVPIIAGGTGLYIQSLLYNYAFEDESISEDKMKQVKLKLKELEHLNNNKLHEYLASFDKESAKDIHPN  164
Sbjct:   83 ALAAMAKATARGRIPLLVGGTMLYYKALLEGLPY----------------------------------------------  116
            HHHHHHHHHH---EEEEEE--HHHHHHHH-----                                              

            -HHHHHHHHHHHHH----HHHHHHH--------EEEEEE---HHHHHHHHHHHHHHHHHHHHHHHHHHHHH--  -----
Query:  165 NRKRVLRAIEYYLKTKKLLSSRKKVQQFTENYDTLLIGIEMSRETLYLRINKRVDIMLGHGLFNEVQHLVEQG--FEASQ  242
Sbjct:  117 -------------------------------TVAQLAIAPEQRQVLHARIAQRFRQMLEQGFIAEVEALHARSDLHAGLP  165
                                           EEEEEEEE---HHHHHHHHHHHHHHHHH--HHHHHHHHH----------

            -HHEE-HHHHHHHH-----HHHHHHHHHHHHHHHHHHHHHHHH-----EEE-- ----HHHHHHHHHH
Query:  243 SMQAIGYKELVPVIKGNISMENAVEKLKQHSRQYAKRQLTWFKNKMNVHWLNK-ERMSLQMMLDEITT  309
Sbjct:  166 SIRAVGYRQVWDYLDGKLSYAEMTERGIIATRQLAKRQFTWLRSWSHLHWMDSLAGDNLPRALRYLKT  233
            ------HHHHHHHH-----HHHHHHHHHHHHHHHHHHHHHHHH-----EEEE-----HHHHHHHHHHH

231 residues (69.58%) 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: 43.81% helical, 10.18% extended, 46.02% loops/other (query: 53.61% 9.04% 37.35%) 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. 2ZE5_A not_found 74.74.74.74 NONE -88.225 0 1 66.27% 15.56% OPTM -714.212 -233.810 2.338 0.399 0.494 0.849 0.856 28.170 -54.4 2.930 36.000 69.5 4.040 56.000 -151.0 -0.730 -0.570 84.0 0.410 -2.300 -40.8 0.270 7.730 125.2 0.470 0.410 -28.9 7.450 27.270 42.0 14.360 26.030 -83.6 -30.000 27.000 -91.0 -30.000 41.000 -160.0 5.910 119.000 61.0 10.090 79.000 -135.0 2.200 53.000 59.0 9.920 57.000 -145.0 5.000 -7.2 -0.179 -20.0 0.000 -9.3e+061 5.000 -7.3 -1.180 -6.3 0.39 0.78 alignment source: OPTM +++ there is a problem with all-atom model, click here for details -EEEEE------HHHHHHHHHHH---EEEE---EEEH-----------HHHHHH---EEE----- -----HHHHHHHHH Query: 8 FLIVIVGPTASGKTELSIEVAKKFNGEIISGDSMQVYQGMDIGTAKVTTEEMEGIPHYMIDILPP-DASFSAYEFKKRAE 86 Sbjct: 2 LLHLIYGPTCSGKTDMAIQIAQETGWPVVALDRVQCCPQIATGSGRPLESELQSTRRIYLDSRPLTEGILDAESAHRRLI 81 EEEEE------HHHHHHHHHHHH---EEE--------------------------EE-------------HHHHHHHHHH HHHHHHHH----EEEE---HHHHHHHHH------ ----HHHHHHHHHHHHHHHH--HHH HHHHHHH-- Query: 87 KYIKDITRRGKVPIIAGGTGLYIQSLLYNYAFED----------ESISEDKMKQVKLKLKELEHLNNNK--LHEYLASFD 154 Sbjct: 82 FEVDWR-KSEEGLILEGGSISLLNCMAKSPFWRSGFQWHVKRLRLGDSDAFLTRAKQRVAEMFAIREDRPSLLEELAELW 160 HHH--- ---EEEEEE--HHHHHHHHH--------EEEEEE-----HHHHHHHHHHHHHHHH--------HHHHHHHHH- HHHHHH-----HHHHHHHHHHHHH----HHHHHHH--------EEEEEE---HHHHHHHHHHHHHHHHHHHHHHH Query: 155 -----KESAKDIHPNNRKRVLRAIEYYLKTKKLLSSRKKVQQFTENYDTLLIGIEMSRETLYLRINKRVDIMLGHGLFNE 229 Sbjct: 161 NYPAARPILEDIDG-----YRCAIRFARKHDLAISQLPNID-----------------AGRHVELIEAIANEYLEHALSQ 218 ---HHHHH-----H HHHHHHHHH------------H HHHHHHHHHHHHHHHHHHHHHH HHH Query: 230 VQH 232 Sbjct: 219 ERD 221 HH- 220 residues (66.27%) 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: 56.91% helical, 12.23% extended, 30.85% loops/other (query: 53.61% 9.04% 37.35%) 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. 2JAQ_A not_found 74.74.74.74 NONE -88.320 0 1 56.63% 11.76% OPTM -711.247 -403.100 0.878 0.379 0.159 0.586 0.934 14.330 -45.7 3.840 85.000 155.0 -0.220 -13.000 -99.5 -0.600 4.290 118.3 -0.650 0.350 -31.3 -0.500 5.700 169.1 -0.200 2.260 -24.5 1.920 5.090 112.2 9.470 7.510 -66.4 -30.000 20.000 -40.0 -30.000 3.000 -125.0 4.480 96.000 177.0 1.780 8.000 -70.0 -0.170 21.000 192.0 3.750 11.000 -96.0 5.000 -4.3 -0.211 -12.6 0.000 -9.3e+061 5.000 -4.2 0.114 -3.0 0.24 0.87 alignment source: OPTM +++ there is a problem with all-atom model, click here for details -EEEEE------HHHHHHHHHHH---EEEE---EEEH-----------HHHHHH---EEE----------HHHHHHHHHH Query: 8 FLIVIVGPTASGKTELSIEVAKKFNGEIISGDSMQVYQGMDIGTAKVTTEEMEGIPHYMIDILPPDASFSAYEFKKRAEK 87 Sbjct: 1 MKIAIFGTVGAGKSTISAEISKKLGYEIFKEP----VEENPY---------FEQYYK---DL--------KKTVFKMQIY 56 -EEEEE------HHHHHHHHHHHH--EEE--- ------ HHHH-- -H HHHHHHHHHH HHHHHHH----EEEE-- -HHHHHHHHH----------HHHHHHHHHHHHHHHH--HHHHHHHHHH--HHHHHH----- Query: 88 YIKDITRRGKVPIIAGG--TGLYIQSLLYNYAFEDESISEDKMKQVKLKLKELEHLNNNKLHEYLASFDKESAKDIHPNN 165 Sbjct: 57 MLTARSKQLKNIIFDRTLLEDPIFMKVNYDLNNVD--------------------------------------------- 91 HHHHHHHHH--EEEE-----HHHHHHHHHH----- HHHHHHHHHHHHH----HHHHHHH--------EEEEEE---HHHHHHHHHHHHHHHHHHHHHHHHHHHHH--------HH Query: 166 RKRVLRAIEYYLKTKKLLSSRKKVQQFTENYDTLLIGIEMSRETLYLRINKRVDIMLGHGLFNEVQHLVEQGFEASQSMQ 245 Sbjct: 92 QTDYNTYIDFYNNVV---------LENKLSFD-IVIYLRVSTKTAISRIKKRGR-----------SEELLIG-------- 142 HHHHHHHHHHHHH-- -------- EEEEEE--HHHHHHHHHHH-- HHHHH-- EE-HHHHHHHH-----HHHHHHHHHHHHHHHHHHHHHHHH-----EEE------HHHHHHHHHHHHHH Query: 246 AIGYKELVPVIKGNISMENAVEKLKQHSRQYAKRQLTWFKNKMNVHWLNKERMSLQMMLDEITTQINK 313 Sbjct: 143 -----------------EEYWETLNKNYEEFYKQNV----YDFPFFVVDAE-LDVKTQIELIMNKLNS 188 HHHHHHHHHHHHHHHHHH- ----EEEEE-- --HHHHHHHHHHHHHH 188 residues (56.63%) 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: 47.65% helical, 15.88% extended, 36.47% loops/other (query: 53.61% 9.04% 37.35%) SCOP classification: [Alpha and beta proteins (a/b)]/[P-loop containing nucleoside triphosphate hydrolases] 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. 1KNQ_A c.37.1.17 145.75.75.1 NONE -88.342 0 1 51.20% 11.93% OPTM -510.358 -243.330 0.473 0.413 0.242 0.679 0.849 13.950 -38.9 2.330 52.500 240.5 1.850 -25.000 -110.5 -0.240 -1.510 132.9 -1.110 -1.470 -26.9 0.510 6.030 180.3 0.910 3.760 -24.5 5.670 12.860 117.7 6.200 9.380 -49.8 -30.000 10.000 1.0 -30.000 5.000 -108.0 4.340 62.000 233.0 4.040 29.000 -75.0 -0.040 14.000 271.0 5.290 16.000 -80.0 5.000 -1.1 -0.597 -15.1 -13.000 346.0 5.000 -1.1 -0.658 -3.1 0.70 0.74 alignment source: OPTM -------EEEEE------HHHHHHHHHHH---EEEE---EEEH-----------HHHHHH---EEE----------HHHH Query: 2 TEMTKPFLIVIVGPTASGKTELSIEVAKKFNGEIISGDSMQVYQGMDIGTAKVTTEEMEGIPHYMIDILPPDASFSAYEF 81 Sbjct: 3 TTNHDHHIYVLMGVSGSGKSAVASEVAHQLHAAFLDGD------------FLHPRRNIEKMASG-----EPLNDDDRKPW 65 ------EEEEEE------HHHHHHHHHHHH--EEEE-- ----HHHHHHHH-- ----HHHHHHH HHHHHHHHHHHHH----EEEE-- -HHHHHHHHH--- -------HHHHHHHHHHHHHHHH--HHHHHHHHHH- Query: 82 KKRAEKYIKDITRRGKVPIIAGG--TGLYIQSLLYNYA------FEDESISEDKMKQVKLKLKELEHLNNNKLHEYLASF 153 Sbjct: 66 LQALNDAAFAMQRTNKVSLIVCSALKKHYRDLLREGNPNLSFIYLKGD---------FDVIESRLKARKG---------- 126 HHHHHHHHHHHHHH--EEEEE-----HHHHHHHH-----EEEEEEE-- HHHHHHHHH---- -HHHHHH-----HHHHHHHHHHHHH----HHHHHHH--------EEEEEE---HHHHHHHHHHHHH Query: 154 DKESAKDIHPNNRKRVLRAIEYYLKTKKLLSSRKKVQQFTENYDTLLIGIEMSRETLYLRINKRVD 219 Sbjct: 127 --------HFFKTQMLVTQFETLQ------------EPGADETDVLVVDIDQPLEGVVASTIEVIK 172 ----HHHHHHHHHH-- --------EEEEE----HHHHHHHHHHHHH 170 residues (51.20%) 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: 44.64% helical, 9.87% extended, 45.49% loops/other (query: 53.61% 9.04% 37.35%) 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. 2QGN_A not_found 74.74.74.74 NONE -88.405 0 1 70.48% 35.05% OPTM -633.176 -457.130 7.028 0.415 0.135 0.705 0.929 61.180 -88.7 29.070 597.000 -481.5 31.080 400.500 -533.0 0.300 5.520 58.0 0.960 4.520 -41.9 10.410 63.720 37.3 10.080 36.020 -56.8 15.080 54.550 -9.6 15.410 37.400 -92.4 -30.000 28.000 -102.0 -30.000 38.000 -161.0 36.100 720.000 -543.0 59.420 550.000 -610.0 4.030 61.000 30.0 9.110 59.000 -150.0 5.000 -74.0 -5.124 -10.1 0.000 -9.3e+061 5.000 -1.0 0.763 -59.4 0.39 0.80 alignment source: OPTM +++ there is a problem with all-atom model, click here for details ---EEEEE------HHHHHHHHHHH---EEEE---EEEH-----------HHHHHH---EEE----------HHHHHHHH Query: 6 KPFLIVIVGPTASGKTELSIEVAKKFNGEIISGDSMQVYQGMDIGTAKVTTEEMEGIPHYMIDILPPDASFSAYEFKKRA 85 Sbjct: 2 KEKLVAIVGPTAVGKTKTSV-LAKRLNGEVISGDS-QVYRG-DIGTAKITAEE-DGVPHHLIDIKDPSESFSVADFQDLA 77 --EEEEE-------HHHHH- -HHHH-EEEEE--- ----- ----------- ----EE------------HHHHHHHH HHHHHHHHH----EEEE---HHHHHHHHH----------HHHHHHHHHHHHHHHH--HHHHHHHHHH--HHHHHH----- Query: 86 EKYIKDITRRGKVPIIAGGTGLYIQSLLYNYAFEDESISEDKMKQVKLKLKELEHLNNNKLHEYLASFDKESAKDIHPNN 165 Sbjct: 78 TPLITEIHERGRLPFLVGGTGLYVNAVIHQFNLGE--------------------------------------------- 112 HHHHHHHHHH--EEEEE---HHHHHHHH------- HHHHHHHHHHHHH----HHHHHHH--------EEEEEE---HHHHHHHHHHHHHHHHHHHHHHHHHHHHH--------HH Query: 166 RKRVLRAIEYYLKTKKLLSSRKKVQQFTENYDTLLIGIEMSRETLYLRINKRVDIMLGHGLFNEVQHLVEQGFEASQSMQ 245 Sbjct: 113 ---------------------------TPSPYNLVIGLTE-RDVLYDRINRRVDQV-EEGLIDEAKKLYDRGIRDCQSVQ 163 -----EE--EE-- HHHHHHHHHHHHH-- ---HHHHHHHHHHH-----HHHH EE-HHHHHHHH-----HHHHHHHHHHHHHHHHHHHHHHHH-----EEE------HHH HHHHHHHHHHHHH- Query: 246 AIGYKELVPVIKGNISMENAVEKLKQHSRQYAKRQLTWFKNKMNVHWLNKERMSLQM---MLDEITTQINKRSS 316 Sbjct: 164 AIGYKE-YDYLDGNVTLEEAIDTLKRNSRRYAKRQLTWFRNKANVTWFDTD-VDFDKKIEIHNFIAGKLEEKSK 235 ------ ---------HHHHHHHHHHHHHHHHHHHHHHHHH-----EE--- --HHHH--HHHHHHHHHHHH-- 234 residues (70.48%) of query sequence aligned
DONE: Tue Aug 12 02:01:30 2008 EST