Complet list of 1acw hssp file
Complete list of 1acw.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1ACW
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 Maintained at http://www.cmbi.ru.nl/ by Maarten L. Hekkelman
DATE file generated on 2014-04-27
HEADER TOXIN 10-FEB-97 1ACW
COMPND MOL_ID: 1; MOLECULE: NATURAL SCORPION PEPTIDE P01; CHAIN: A; ENGINEERE
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: ANDROCTONUS MAURETANICUS MAURETANICUS;
AUTHOR E.BLANC,V.FREMONT,P.SIZUN,S.MEUNIER,J.VAN RIETSCHOTEN, A.THEVAND,J.M.B
DBREF 1ACW A 1 29 UNP P56215 SCX1_ANDMA 1 29
SEQLENGTH 29
NCHAIN 1 chain(s) in 1ACW data set
NALIGN 11
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 : identifier and alignment statistics
NR. ID STRID %IDE %WSIM IFIR ILAS JFIR JLAS LALI NGAP LGAP LSEQ2 ACCNUM PROTEIN
1 : KAX81_ANDMA 1ACW 1.00 1.00 1 29 1 29 29 0 0 29 P56215 Potassium channel toxin alpha-KTx 8.1 OS=Androctonus mauretanicus mauretanicus PE=1 SV=1
2 : B8XH31_BUTOS 0.93 1.00 1 29 29 57 29 0 0 57 B8XH31 Putative potassium channel toxin Tx203 OS=Buthus occitanus israelis PE=4 SV=1
3 : KAX83_LEIQH 0.93 1.00 1 29 1 29 29 0 0 29 P80670 Potassium channel toxin alpha-KTx 8.3 OS=Leiurus quinquestriatus hebraeus PE=1 SV=1
4 : KAX84_LEIQH 0.93 1.00 1 28 1 28 28 0 0 29 P80671 Potassium channel toxin alpha-KTx 8.4 OS=Leiurus quinquestriatus hebraeus PE=1 SV=1
5 : KAX85_ODODO 0.90 1.00 1 29 1 29 29 0 0 29 P0CC12 Potassium channel toxin alpha-KTx 8.5 OS=Odontobuthus doriae PE=1 SV=1
6 : KAX82_MESMA 1WM7 0.85 1.00 2 28 30 56 27 0 0 57 Q9U8D2 Potassium channel toxin alpha-KTx 8.2 OS=Mesobuthus martensii PE=1 SV=1
7 : Q549D8_MESMA 0.85 1.00 2 28 30 56 27 0 0 57 Q549D8 Putative apamin-sensitive potassium channel inhibitor OS=Mesobuthus martensii GN=Kk5 PE=4 SV=1
8 : E4VP12_MESEU 0.82 0.93 1 28 29 56 28 0 0 57 E4VP12 Venom K-toxin OS=Mesobuthus eupeus GN=TXKalpha1 PE=4 SV=1
9 : F1CIV5_HOTJU 0.82 0.96 1 28 31 58 28 0 0 59 F1CIV5 Gamma-buthitoxin-Hj1a OS=Hottentotta judaicus PE=4 SV=1
10 : KTX81_MESEU 0.82 0.93 1 28 1 28 28 0 0 29 P86400 Toxin MeuKTx-1 OS=Mesobuthus eupeus PE=1 SV=1
11 : E4VP43_MESEU 0.79 0.93 1 28 29 56 28 0 0 57 E4VP43 Venom K-channel toxin OS=Mesobuthus eupeus GN=TXKalpha2 PE=4 SV=1
## ALIGNMENTS 1 - 11
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A V 0 0 86 10 0 VVVVV VVVV
2 2 A S - 0 0 48 12 37 SSSSSTTSGSS
3 3 A a S S+ 0 0 72 12 0 CCCCCCCCCCC
4 4 A E S > S+ 0 0 154 12 0 EEEEEEEEEEE
5 5 A D H > S+ 0 0 81 12 0 DDDDDDDDDDD
6 6 A b H > S+ 0 0 37 12 0 CCCCCCCCCCC
7 7 A P H > S+ 0 0 17 12 0 PPPPPPPPPPP
8 8 A E H X S+ 0 0 91 12 9 EEDDEEEEEEE
9 9 A H H < S+ 0 0 109 12 0 HHHHHHHHHHH
10 10 A c H ><>S+ 0 0 10 12 0 CCCCCCCCCCC
11 11 A S H ><5S+ 0 0 74 12 49 SSSSSAAASAA
12 12 A T T 3<5S+ 0 0 116 12 24 TTTTTTTTQTT
13 13 A Q T < 5S- 0 0 105 12 40 QQQQQQQKQKK
14 14 A K T < 5S+ 0 0 156 12 61 KKKKKNNDNDD
15 15 A A < - 0 0 7 12 47 AAAAAAAQAQQ
16 16 A Q E -A 27 0A 107 12 21 QRRRRRRRRRR
17 17 A A E -A 26 0A 4 12 0 AAAAAAAAAAA
18 18 A K E -A 25 0A 125 12 0 KKKKKKKKKKK
19 19 A a E +A 24 0A 32 12 0 CCCCCCCCCCC
20 20 A D E > -A 23 0A 87 12 7 DDDDDDDDEDD
21 21 A N T 3 S- 0 0 142 12 0 NNNNNNNNNNN
22 22 A D T 3 S+ 0 0 114 12 0 DDDDDDDDDDD
23 23 A K E < -A 20 0A 125 12 9 KKKKKKKKKKR
24 24 A b E -A 19 0A 32 12 0 CCCCCCCCCCC
25 25 A V E -A 18 0A 88 12 0 VVVVVVVVVVV
26 26 A c E -A 17 0A 62 12 0 CCCCCCCCCCC
27 27 A E E -A 16 0A 135 12 0 EEEEEEEEEEE
28 28 A P 0 0 78 12 21 PAPPSPPPPPP
29 29 A I 0 0 146 5 13 III V
## 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 A 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10 0 0 0.000 0 1.00
2 2 A 0 0 0 0 0 0 0 8 0 0 75 17 0 0 0 0 0 0 0 0 12 0 0 0.721 24 0.63
3 3 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 12 0 0 0.000 0 1.00
4 4 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 12 0 0 0.000 0 1.00
5 5 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 12 0 0 0.000 0 1.00
6 6 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 12 0 0 0.000 0 1.00
7 7 A 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 12 0 0 0.000 0 1.00
8 8 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 83 0 17 12 0 0 0.451 15 0.90
9 9 A 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 12 0 0 0.000 0 1.00
10 10 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 12 0 0 0.000 0 1.00
11 11 A 0 0 0 0 0 0 0 0 42 0 58 0 0 0 0 0 0 0 0 0 12 0 0 0.679 22 0.51
12 12 A 0 0 0 0 0 0 0 0 0 0 0 92 0 0 0 0 8 0 0 0 12 0 0 0.287 9 0.76
13 13 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 25 75 0 0 0 12 0 0 0.562 18 0.60
14 14 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 50 0 0 25 25 12 0 0 1.040 34 0.39
15 15 A 0 0 0 0 0 0 0 0 75 0 0 0 0 0 0 0 25 0 0 0 12 0 0 0.562 18 0.52
16 16 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 83 0 17 0 0 0 12 0 0 0.451 15 0.79
17 17 A 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 12 0 0 0.000 0 1.00
18 18 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 12 0 0 0.000 0 1.00
19 19 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 12 0 0 0.000 0 1.00
20 20 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8 0 92 12 0 0 0.287 9 0.92
21 21 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 12 0 0 0.000 0 1.00
22 22 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 12 0 0 0.000 0 1.00
23 23 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8 92 0 0 0 0 12 0 0 0.287 9 0.90
24 24 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 12 0 0 0.000 0 1.00
25 25 A 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12 0 0 0.000 0 1.00
26 26 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 12 0 0 0.000 0 1.00
27 27 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 12 0 0 0.000 0 1.00
28 28 A 0 0 0 0 0 0 0 0 8 83 8 0 0 0 0 0 0 0 0 0 12 0 0 0.566 18 0.79
29 29 A 20 0 80 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0.500 16 0.86
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
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