Example for prediction-based threading (TOPITS)

(input COLUMN format, i.e., your prediction)


The output consists of the following parts:



The following information has been received by the server:
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
________________________________________________________________________________

b.rost
EMBL, 69012 Heidelberg, Europe
rost@embl-heidelberg.de
prediction-based threading
# COL format --- PHD PREDICTION COLUMN FORMAT
  No  AA PSEC RI_S   pH   pE   pL PACC PREL RI_A Pbie
   1   K    L    9    0    3   96  166   81    9    e
   2   G    L    9    0    7   93   68   81    4    e
   3   P    L    2    0   42   60   66   49    4    e
   4   A    E    7    1   81   19    0    0    3    b
   5   V    E    6    0   80   21    0    0    6    b
   6   G    E    7    1   82   19    0    0    8    b
   7   I    E    8    1   87   16    0    0    7    b
   8   D    E    6    1   80   25    0    0    0    b
   9   L    L    1    2   47   54    0    0    4    b
  10   G    L    7    1   17   82    0    0    3    b
  11   T    L    3    3   37   59    0    0    2    b
  12   T    L    1    5   43   48    0    0    2    b
  13   Y    E    4   10   63   27    8    4    0    b
  14   S    E    8    6   85    8    0    0    6    b
  15   C    E    9    3   94    4    0    0    6    b
  16   V    E    9    3   94    4    0    0    7    b
  17   G    E    9    2   91    7    0    0    5    b
  18   V    E    8    2   88   11    0    0    7    b
  19   F    E    8    3   86   13    0    0    1    b
  20   Q    E    4    2   68   33   97   49    5    e
  21   H    L    7    0   15   83  149   81    6    e
  22   G    L    8    0   13   88   41   49    3    e
  23   K    L    4    0   35   69   73   36    2    e
  24   V    E    8    1   88   10    0    0    1    b
  25   E    E    9    1   96    3   69   36    2    e
  26   I    E    9    0   96    3    0    0    7    b
  27   I    E    9    1   95    3    0    0    6    b
  28   A    E    9    2   91    5    0    0    3    b
  29   N    E    4    1   63   29   56   36    0    e
  30   D    L    8    0   12   83   79   49    3    e
  31   Q    L    9    0    5   93   97   49    5    e
  32   G    L    9    0    7   90   68   81    4    e
  33   N    L    8    1   11   87   76   49    4    e
  34   R    L    8    2   11   86  121   49    4    e
  35   T    L    5    3   27   68   51   36    0    e
  36   T    L    3    1   38   63    0    0    1    b
  37   P    L    3    1   37   64   34   25    1    i
  38   S    L    2    2   42   58   63   49    2    e
  39   Y    E    2    1   57   45   55   25    1    i
  40   V    L    7    0   17   86    0    0    2    b
________________________________________________________________________________

The resulting prediction is:                             
~~~~~~~~~~~~~~~~~~~~~~~~~~~~
________________________________________________________________________________
    1  27.87   38    8    3   1.26   21 1259 3aah HANOL DEHYDROGENASE (E.C.
    2  27.87   38    8    3   1.26   21 1259 3aah HANOL DEHYDROGENASE (E.C.
    3  27.17   40    5    2   1.14   17 1259 3aah HANOL DEHYDROGENASE (E.C.
    4  27.17   40    5    2   1.14   17 1259 3aah HANOL DEHYDROGENASE (E.C.
    5  25.12   40    1    1   0.81   15  105 1aaj CYANIN (APO FORM)
    6  23.10   40   10    3   0.48   13  150 1aak QUITIN CONJUGATING ENZYME
    7  20.13   40    8    3  -0.01   20  162 119l OZYME (E.C.3.2.1.17) MUTA
    8  17.62   33    7    1  -0.42   12  185 153l OZYME (E.C.3.2.1.17)
    9  15.60   35    6    2  -0.75   23   55 1aaf -1 NUCLEOCAPSID PROTEIN (
   10  15.40   32    8    1  -0.78   16 1259 3aah THANOL DEHYDROGENASE (E.C
   11  15.40   32    8    1  -0.78   16 1259 3aah THANOL DEHYDROGENASE (E.C
   12  15.38   30    8    1  -0.78   17 1259 3aah THANOL DEHYDROGENASE (E.C
   13  15.38   30    8    1  -0.78   17 1259 3aah THANOL DEHYDROGENASE (E.C
   14   9.20   31    0    0  -1.79   16  211 2abk L_ID: 1;
---
--- TOPITS ALIGNMENTS HEADER: PDB_POSITIONS FOR ALIGNED PAIR
 RANK PIDE IFIR ILAS JFIR JLAS LALI LEN2 ID2
    1   21    2   40  160  204   38 1259 3aah
    2   21    2   40  160  204   38 1259 3aah
    3   17    1   40  790  834   40 1259 3aah
    4   17    1   40  790  834   40 1259 3aah
    5   15    1   40   18   58   40  105 1aaj
    6   13    1   40   21   70   40  150 1aak
    7   20    1   40   11   58   40  162 119l
    8   12    1   40   76  108   33  185 153l
    9   23    1   40    3   38   35   55 1aaf
   10   16    1   40 1207 1238   32 1259 3aah
   11   16    1   40 1207 1238   32 1259 3aah
   12   17    1   38  577  606   30 1259 3aah
   13   17    1   38  577  606   30 1259 3aah
   14   16    9   39  181  211   31  211 2abk
---
--- TOPITS ALIGNMENTS: SYMBOLS AND EXPLANATIONS
--- BLOCK 1      : your protein and its predicted 1D structure,
---              : i.e., secondary structure and solvent accessibility
--- line 1       : amino acid sequence (one-letter-code)
--- line 2       : predicted secondary structure:
--- H            : helix
--- E            : strand (extended)
--- L            : other (no regular secondary structure)
--- line 3       : predicted residue relative solvent accessibility
--- B            : buried, i.e., relative accessibility < 15%
--- O            : exposed (outside), i.e., relative accessibility >= 15%
---              :
--- BLOCKS 1-20  : 20 best hits of the prediction-based threading
---    ATTENTION : We chose to include all first 20 hit.  However,
---    ATTENTION : most of them will not constitute true remote
---    ATTENTION : homologues.  Instead, all hits with a zscore
---    ATTENTION : (ZALI) < 3.5 are, at best, rather speculative!
---              : for each aligned protein:
--- line 1       : amino acids conserved between guide (yours) and the
---              : aligned protein (putative homologue)
--- line 1       : sequence of aligned protein
--- line 3       : secondary structure, taken from DSSP (assignment
---              : of secondary structure based on experimental coordinates)
--- line 4       : relative solvent accessibility, taken from DSSP
---

--- TOPITS ALIGNMENTS
   1 -  40               ....:....1....:....2....:....3....:....4....:....5
      t-to               KGPAVGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYV
                         LLLEEEEELLLLEEEEEEEELLLEEEEEELLLLLLLLLEL
                         OOOBBBBBBBBBBBBBBBBOOOOBOBBBOOOOOOOBOOOB

                              V   LG     V  F  G     A   G
   1. 3aah         27.87  KDTVLMglGVR.GAVNAFdtGELKWRAFATGSDDSVRLA
                          LLEEEEEHLLL.LEEEEEELLLEEEEEELLLLLLLLLEL
                          BBBOBOBOOBOOOOBOBOBOOBOBBBOBOOOOBOOBOOB
                             V   LG     V  F  G     A   G
   2. 3aah         27.87  KDTVLMglGVR.GAVNAFdtGELKWRAFATGSDDSVRLA
                          LLEEEEEHLLL.LEEEEEELLLEEEEEELLLLLLLLLEL
                          BBBOBOBOOBOOOOBOBOBOOBOBBBOBOOOOBOOBOOB
                         K        G     V  F  G     A   G
   3. 3aah         27.17 KDTVLMGCSggVRGAVNAFdtGELKWRAFATGSDDSVRLA
                         LLEEEEELELLLLLEEEEEELLLEEEEEELLLLLLLLLEL
                         BBOBOBOOBOBOOOOBOBOBOOBOBBBOBOOOOBOOBOOB
                         K        G     V  F  G     A   G
   4. 3aah         27.17 KDTVLMGCSggVRGAVNAFdtGELKWRAFATGSDDSVRLA
                         LLEEEEELELLLLLEEEEEELLLEEEEEELLLLLLLLLEL
                         BBOBOBOOBOBOOOOBOBOBOOBOBBBOBOOOOBOOBOOB
                          G  V       Y        G      N          V
   5. 1aaj         25.12 DGAIVVDIAKMKYETPELHVkgDTVTWINREAMPHNVHFV
                         LLLEEEEEELLEELLLEEEELLLEEEEEELLLLLELLEEL
                         OOOOBOOOOOOBOOOOBOBOOOOOOOOOOOOOOOOOOBOO
                              G            F  G              P  V
   6. 1aak         23.10 PAGISGAPQDnmLWNAVIfdGGTFKLSLqsEDYPNKPPTV
                         LLLEEEEEELLEEEEEEEEELLEEEEEEELLLLLLLLLEE
                         OOBOOOOOBOBOBOBOOOOOOOOOOBOOBOBBOOOOOOOO
                          G    I   T Y   G          A     R T
   7. 119l         20.13 EGLRLKIYKDTeyYTIglLTKSPSLNAAKSeiGRNTNGVI
                         HLLEEEEEELLLLEEEEEEELLLLHHHHHHHHLLLLLLEL
                         OOBOOOBOOOOOOOBOOBBOOOOOOOBBOOOOOBBOOBOO
                          G       G      G  Q
   8. 153l         17.62 AGKVLKNGWGDRGNGFGLMQ.......VDKRSHKPQGTWN
                         LLLLLELLELLLLLEELLLL.......EELLLLLLLLLLL
                         OOBBOOBBOOOOOOBOOOOBBOOOBBOOOBOOBOBOOOBO
                          G                F  GK   IAN    R
   9. 1aaf         15.60 RGN.....FRNQRKIIKCFNCGKEGHIanCRAPRKRGCWK
                         LLL.....LLLLLLLLLLLLLLLLLLLHHLLLLLLLLLLL
                         OOOOOBOOOOOOOOOOOOOOOOOOOOBOOOOOOOOOOOOO
                              G               G  E IA
  10. 3aah         15.40 TCKEAGNCWEAK........PGYPEKIAGSKYDPKHDPVE
                         LLLELLELLLLL........LLLLLLLLLLLLLLLLLHHH
                         BOOBOOOOBOOOOBOBOBOBOOBOBBBOBOOOOBOOBOOB
                              G               G  E IA
  11. 3aah         15.40 TCKEAGNCWEAK........PGYPEKIAGSKYDPKHDPVE
                         LLLELLELLLLL........LLLLLLLLLLLLLLLLLHHH
                         BOOBOOOOBOOOOBOBOBOBOOBOBBBOBOOOOBOOBOOB
                              G               G  E IA
  12. 3aah         15.38 TCKEAGNCWEAK........PGYPEKIAGSKYDPKHDP
                         LLLELLELLLLL........LLLLLLLLLLLLLLLLLH
                         OBOOOOBOOOOBOBOBOBOOBOBBBOBOOOOBOOBOOB
                              G               G  E IA
  13. 3aah         15.38 TCKEAGNCWEAK........PGYPEKIAGSKYDPKHDP
                         LLLELLELLLLL........LLLLLLLLLLLLLLLLLH
                         OBOOOOBOOOOBOBOBOBOOBOBBBOBOOOOBOOBOOB
                                 L   Y C          II
  14. 2abk          9.20         LHGRYTCIARKPRCGSCIIEDLCEYKEKVDI
                                 HHHHHLLLLLLLLHHHLLLHHHLLLLLLLLL
                                 BBOOOOOBOOOBOOOOOOBOOBBOOOOOOOO
---
--- TOPITS ALIGNMENTS END
---