Complet list of 1wqc hssp file
Complete list of 1wqc.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1WQC
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 2014-05-12
HEADER TOXIN 27-SEP-04 1WQC
COMPND MOL_ID: 1; MOLECULE: OMTX1; CHAIN: A
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: OPISTHACANTHUS MADAGASCARIENSIS; ORGAN
AUTHOR B.CHAGOT,C.PIMENTEL,L.DAI,J.PIL,J.TYTGAT,T.NAKAJIMA,G.CORZO, H.DARBON,
DBREF 1WQC A 1 26 PDB 1WQC 1WQC 1 26
SEQLENGTH 26
NCHAIN 1 chain(s) in 1WQC data set
NALIGN 3
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 : KKX21_OPIMA 1WQC 1.00 1.00 1 26 1 26 26 0 0 27 P0C1Z3 Potassium channel toxin kappa-KTx 2.2 OS=Opisthacanthus madagascariensis PE=1 SV=1
2 : KKX26_OPICY 0.75 0.85 2 21 44 63 20 0 0 65 C5J893 Potassium channel toxin kappa-KTx 2.6 OS=Opisthacanthus cayaporum PE=2 SV=1
3 : KKX25_OPICY 0.64 0.88 1 25 44 68 25 0 0 70 P86110 Potassium channel toxin kappa-KTx 2.5 OS=Opisthacanthus cayaporum PE=1 SV=1
## ALIGNMENTS 1 - 3
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A D > 0 0 180 3 0 D D
2 2 A P H > + 0 0 91 4 46 PPA
3 3 A a H > S+ 0 0 46 4 0 CCC
4 4 A Y H > S+ 0 0 48 4 77 YVV
5 5 A E H X S+ 0 0 118 4 46 EEN
6 6 A V H X S+ 0 0 71 4 60 VVA
7 7 A b H X S+ 0 0 10 4 0 CCC
8 8 A L H < S+ 0 0 91 4 26 LVL
9 9 A Q H < S+ 0 0 132 4 37 QQE
10 10 A Q H < S- 0 0 142 4 38 QHH
11 11 A H < - 0 0 128 4 60 HTH
12 12 A G + 0 0 65 4 56 GGP
13 13 A N + 0 0 54 4 0 NNN
14 14 A V S > S+ 0 0 79 4 0 VVV
15 15 A K H > S+ 0 0 146 4 32 KKR
16 16 A E H > S+ 0 0 129 4 0 EEE
17 17 A b H > S+ 0 0 26 4 0 CCC
18 18 A E H X S+ 0 0 96 4 0 EEE
19 19 A E H >X S+ 0 0 131 4 45 EAE
20 20 A A H 3< S+ 0 0 58 4 0 AAA
21 21 A a H 3< S+ 0 0 66 4 0 CCC
22 22 A K H << S+ 0 0 169 3 0 K K
23 23 A H S < S- 0 0 142 3 66 H N
24 24 A P - 0 0 104 3 0 P P
25 25 A V 0 0 128 3 0 V V
26 26 A E 0 0 241 2 0 E
## 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 3 0 0 0.000 0 1.00
2 2 A 0 0 0 0 0 0 0 0 25 75 0 0 0 0 0 0 0 0 0 0 4 0 0 0.562 18 0.53
3 3 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 4 0 0 0.000 0 1.00
4 4 A 50 0 0 0 0 0 50 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0.693 23 0.22
5 5 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 75 25 0 4 0 0 0.562 18 0.53
6 6 A 75 0 0 0 0 0 0 0 25 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0.562 18 0.39
7 7 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 4 0 0 0.000 0 1.00
8 8 A 25 75 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0.562 18 0.73
9 9 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 75 25 0 0 4 0 0 0.562 18 0.63
10 10 A 0 0 0 0 0 0 0 0 0 0 0 0 0 50 0 0 50 0 0 0 4 0 0 0.693 23 0.61
11 11 A 0 0 0 0 0 0 0 0 0 0 0 25 0 75 0 0 0 0 0 0 4 0 0 0.562 18 0.39
12 12 A 0 0 0 0 0 0 0 75 0 25 0 0 0 0 0 0 0 0 0 0 4 0 0 0.562 18 0.44
13 13 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 4 0 0 0.000 0 1.00
14 14 A 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0.000 0 1.00
15 15 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 25 75 0 0 0 0 4 0 0 0.562 18 0.67
16 16 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 4 0 0 0.000 0 1.00
17 17 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 4 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 0 0 100 0 0 4 0 0 0.000 0 1.00
19 19 A 0 0 0 0 0 0 0 0 25 0 0 0 0 0 0 0 0 75 0 0 4 0 0 0.562 18 0.54
20 20 A 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0.000 0 1.00
21 21 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 4 0 0 0.000 0 1.00
22 22 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 3 0 0 0.000 0 1.00
23 23 A 0 0 0 0 0 0 0 0 0 0 0 0 0 67 0 0 0 0 33 0 3 0 0 0.637 21 0.33
24 24 A 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 3 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 3 0 0 0.000 0 1.00
26 26 A 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 1.00
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
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