HSSP       HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 1.0 1991
PDBID      1pnh
DATE       file generated on 19-Dec-95
SEQBASE    RELEASE 31.0 OF EMBL/SWISS-PROT WITH  43470 SEQUENCES
PARAMETER  SMIN: -0.5  SMAX:  1.0
PARAMETER  gap-open:  3.0 gap-elongation:  0.1
PARAMETER  conservation weights: YES
PARAMETER  InDels in secondary structure allowed: YES
PARAMETER  alignments sorted according to :DISTANCE
THRESHOLD  according to: t(L)=(290.15 * L ** -0.562) +  5
REFERENCE  Sander C., Schneider R. : Database of homology-derived protein structures. Proteins, 9:56-68 (1991).
CONTACT    e-mail (INTERNET) Schneider@EMBL-Heidelberg.DE or Sander@EMBL-Heidelberg.DE / fax +49-6221-387306
AVAILABLE  Free academic use. Commercial users must apply for license.
AVAILABLE  No inclusion in other databanks without permission.
HEADER     TOXIN
COMPND     SCORPION TOXIN (PO5-NH2) ANALOG WITH HIGH AFFINITY FOR
SOURCE     (ANDROCTONUS MAURETANICUS MAURETANICUS)
AUTHOR     S.MEUNIER,J.-M.BERNASSAU,J.-M.SABATIER,
SEQLENGTH    31
NCHAIN        1 chain(s) in 1pnh data set
NALIGN        2
NOTATION : ID: EMBL/SWISSPROT identifier of the aligned (homologous) protein
NOTATION : STRID: if the 3-D structure of the aligned protein is known, then STRID is the Protein Data Bank identifier as taken
NOTATION : from the database reference or DR-line of the EMBL/SWISSPROT entry
NOTATION : %IDE: percentage of residue identity of the alignment
NOTATION : %SIM (%WSIM):  (weighted) similarity of the alignment
NOTATION : IFIR/ILAS: first and last residue of the alignment in the test sequence
NOTATION : JFIR/JLAS: first and last residue of the alignment in the alignend protein
NOTATION : LALI: length of the alignment excluding insertions and deletions
NOTATION : NGAP: number of insertions and deletions in the alignment
NOTATION : LGAP: total length of all insertions and deletions
NOTATION : LSEQ2: length of the entire sequence of the aligned protein
NOTATION : ACCNUM: SwissProt accession number
NOTATION : PROTEIN: one-line description of aligned protein
NOTATION : SeqNo,PDBNo,AA,STRUCTURE,BP1,BP2,ACC: sequential and PDB residue numbers, amino acid (lower case = Cys), secondary
NOTATION : structure, bridge partners, solvent exposure as in DSSP (Kabsch and Sander, Biopolymers 22, 2577-2637(1983)
NOTATION : VAR: sequence variability on a scale of 0-100 as derived from the NALIGN alignments
NOTATION : pair of lower case characters (AvaK) in the alignend sequence bracket a point of insertion in this sequence
NOTATION : dots (....) in the alignend sequence indicate points of deletion in this sequence
NOTATION : SEQUENCE PROFILE: relative frequency of an amino acid type at each position. Asx and Glx are in their
NOTATION : acid/amide form in proportion to their database frequencies
NOTATION : NOCC: number of aligned sequences spanning this position (including the test sequence)
NOTATION : NDEL: number of sequences with a deletion in the test protein at this position
NOTATION : NINS: number of sequences with an insertion in the test protein at this position
NOTATION : ENTROPY: entropy measure of sequence variability at this position
NOTATION : RELENT: relative entropy, i.e.  entropy normalized to the range 0-100
NOTATION : WEIGHT: conservation weight

## PROTEINS : EMBL/SWISSPROT identifier and alignment statistics
  NR.    ID         STRID   %IDE %WSIM IFIR ILAS JFIR JLAS LALI NGAP LGAP LSEQ2 ACCNUM     PROTEIN
    1 : sck5_andma  1PNH    1.00  1.00    1   31    1   31   31    0    0   31  P31719     LEIUROTOXIN I-LIKE TOXIN P05.
    2 : sckl_leiqh          0.87  0.96    1   31    1   31   31    0    0   31  P16341     LEIUROTOXIN I (LETX I) (SCYLLATOXIN).
## ALIGNMENTS    1 -    2
 SeqNo  PDBNo AA STRUCTURE BP1 BP2  ACC NOCC  VAR  ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
     1    1   T              0   0  202    2   41  TA
     2    2   V        -     0   0  111    2   48  VF
     3    3   C        -     0   0   23    2    0  CC
     4    4   N     >  -     0   0   97    2    0  NN
     5    5   L  H  > S+     0   0   65    2    0  LL
     6    6   R  H  > S+     0   0  221    2    0  RR
     7    7   R  H  > S+     0   0  171    2   48  RM
     8    8   C  H  X S+     0   0   12    2    0  CC
     9    9   Q  H >X S+     0   0   49    2    0  QQ
    10   10   L  H 3X S+     0   0   96    2    0  LL
    11   11   S  H >< S+     0   0   67    2    0  SS
    12   12   C  H XX S+     0   0    6    2    0  CC
    13   13   R  H >< S+     0   0  172    2    0  RR
    14   14   S  T << S+     0   0  107    2    0  SS
    15   15   L  T <4 S-     0   0  156    2    0  LL
    16   16   G  S << S+     0   0   67    2    0  GG
    17   17   L  S    S-     0   0   49    2    0  LL
    18   18   L  E     -A   29   0A  28    2    0  LL
    19   19   G  E     -A   28   0A   0    2    0  GG
    20   20   K  E     -A   27   0A 104    2    0  KK
    21   21   C  E     -A   26   0A  23    2    0  CC
    22   22   I  E >   -A   25   0A 124    2    0  II
    23   23   G  T 3  S-     0   0   82    2    0  GG
    24   24   V  T 3  S+     0   0   94    2   63  VD
    25   25   K  E <   -A   22   0A 175    2    0  KK
    26   26   C  E     -A   21   0A  36    2    0  CC
    27   27   E  E     -A   20   0A 130    2    0  EE
    28   28   C  E     +A   19   0A  47    2    0  CC
    29   29   V  E     -A   18   0A  54    2    0  VV
    30   30   K              0   0  193    2    0  KK
    31   31   H              0   0  181    2    0  HH
## SEQUENCE PROFILE AND ENTROPY
 SeqNo PDBNo   V   L   I   M   F   W   Y   G   A   P   S   T   C   H   R   K   Q   E   N   D  NOCC NDEL NINS ENTROPY RELENT WEIGHT
    1    1     0   0   0   0   0   0   0   0  50   0   0  50   0   0   0   0   0   0   0   0     2    0    0   0.693    100  0.33
    2    2    50   0   0   0  50   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0     2    0    0   0.693    100  0.21
    3    3     0   0   0   0   0   0   0   0   0   0   0   0 100   0   0   0   0   0   0   0     2    0    0   0.000      0  1.11
    4    4     0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 100   0     2    0    0   0.000      0  1.11
    5    5     0 100   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0     2    0    0   0.000      0  1.11
    6    6     0   0   0   0   0   0   0   0   0   0   0   0   0   0 100   0   0   0   0   0     2    0    0   0.000      0  1.11
    7    7     0   0   0  50   0   0   0   0   0   0   0   0   0   0  50   0   0   0   0   0     2    0    0   0.693    100  0.21
    8    8     0   0   0   0   0   0   0   0   0   0   0   0 100   0   0   0   0   0   0   0     2    0    0   0.000      0  1.11
    9    9     0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 100   0   0   0     2    0    0   0.000      0  1.11
   10   10     0 100   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0     2    0    0   0.000      0  1.11
   11   11     0   0   0   0   0   0   0   0   0   0 100   0   0   0   0   0   0   0   0   0     2    0    0   0.000      0  1.11
   12   12     0   0   0   0   0   0   0   0   0   0   0   0 100   0   0   0   0   0   0   0     2    0    0   0.000      0  1.11
   13   13     0   0   0   0   0   0   0   0   0   0   0   0   0   0 100   0   0   0   0   0     2    0    0   0.000      0  1.11
   14   14     0   0   0   0   0   0   0   0   0   0 100   0   0   0   0   0   0   0   0   0     2    0    0   0.000      0  1.11
   15   15     0 100   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0     2    0    0   0.000      0  1.11
   16   16     0   0   0   0   0   0   0 100   0   0   0   0   0   0   0   0   0   0   0   0     2    0    0   0.000      0  1.11
   17   17     0 100   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0     2    0    0   0.000      0  1.11
   18   18     0 100   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0     2    0    0   0.000      0  1.11
   19   19     0   0   0   0   0   0   0 100   0   0   0   0   0   0   0   0   0   0   0   0     2    0    0   0.000      0  1.11
   20   20     0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 100   0   0   0   0     2    0    0   0.000      0  1.11
   21   21     0   0   0   0   0   0   0   0   0   0   0   0 100   0   0   0   0   0   0   0     2    0    0   0.000      0  1.11
   22   22     0   0 100   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0     2    0    0   0.000      0  1.11
   23   23     0   0   0   0   0   0   0 100   0   0   0   0   0   0   0   0   0   0   0   0     2    0    0   0.000      0  1.11
   24   24    50   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0  50     2    0    0   0.693    100  0.21
   25   25     0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 100   0   0   0   0     2    0    0   0.000      0  1.11
   26   26     0   0   0   0   0   0   0   0   0   0   0   0 100   0   0   0   0   0   0   0     2    0    0   0.000      0  1.11
   27   27     0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 100   0   0     2    0    0   0.000      0  1.11
   28   28     0   0   0   0   0   0   0   0   0   0   0   0 100   0   0   0   0   0   0   0     2    0    0   0.000      0  1.11
   29   29   100   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0   0     2    0    0   0.000      0  1.11
   30   30     0   0   0   0   0   0   0   0   0   0   0   0   0   0   0 100   0   0   0   0     2    0    0   0.000      0  1.11
   31   31     0   0   0   0   0   0   0   0   0   0   0   0   0 100   0   0   0   0   0   0     2    0    0   0.000      0  1.11
//
