Complet list of 1wpd hssp file
Complete list of 1wpd.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1WPD
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 01-SEP-04 1WPD
COMPND MOL_ID: 1; MOLECULE: MTX-HSTX1; CHAIN: A
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: SCORPIO MAURUS PALMATUS, HETEROMETRUS
AUTHOR I.REGAYA,C.BEETON,G.FERRAT,N.ANDREOTTI,G.K.CHANDY,H.DARBON, M.DE WAARD
DBREF 1WPD A 1 16 UNP P80719 SCXM_SCOMA 1 16
DBREF 1WPD A 17 34 UNP P59867 SCK1_HETSP 17 34
SEQLENGTH 34
NCHAIN 1 chain(s) in 1WPD data set
NALIGN 13
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 : KAX63_HETSP 1WPD 0.82 0.88 2 34 2 34 33 0 0 34 P59867 Potassium channel toxin alpha-KTx 6.3 OS=Heterometrus spinifer PE=1 SV=1
2 : I6NXS5_HETLA 0.79 0.85 2 34 2 34 33 0 0 35 I6NXS5 Kv1.3 potassium channel blocker (Fragment) OS=Heterometrus laoticus GN=Tx2 PE=2 SV=1
3 : KAX62_SCOMA 1WPD 0.79 0.88 1 34 1 34 34 0 0 34 P80719 Potassium channel toxin alpha-KTx 6.2 OS=Scorpio maurus palmatus PE=1 SV=1
4 : KAX66_OPICA 0.71 0.82 1 34 27 60 34 0 0 61 Q6XLL9 Potassium channel toxin alpha-KTx 6.6 OS=Opistophthalmus carinatus PE=2 SV=1
5 : KAX67_OPICA 0.71 0.79 1 34 27 60 34 0 0 61 Q6XLL8 Potassium channel toxin alpha-KTx 6.7 OS=Opistophthalmus carinatus PE=2 SV=1
6 : I6NWV2_HETLA 0.65 0.85 1 34 27 60 34 0 0 61 I6NWV2 Kv1.3 potassium channel blocker (Precursor) OS=Heterometrus laoticus GN=Tx3 PE=3 SV=1
7 : KAX6F_HEMLE 0.65 0.85 1 34 1 34 34 0 0 35 P85528 Potassium channel toxin alpha-KTx 6.15 OS=Hemiscorpius lepturus PE=1 SV=1
8 : KAX68_OPICA 0.62 0.79 1 34 27 60 34 0 0 61 Q6XLL7 Potassium channel toxin alpha-KTx 6.8 OS=Opistophthalmus carinatus PE=2 SV=1
9 : KAX6D_HETSP 1V56 0.62 0.82 1 34 1 34 34 0 0 34 P84094 Potassium channel toxin alpha-KTx 6.13 OS=Heterometrus spinifer PE=1 SV=1
10 : KAX64_PANIM 1N8M 0.59 0.79 1 34 4 37 34 0 0 38 P58498 Potassium channel toxin alpha-KTx 6.4 OS=Pandinus imperator PE=1 SV=1
11 : KAX6A_OPICA 0.59 0.82 1 34 26 59 34 0 0 60 Q6XLL5 Potassium channel toxin alpha-KTx 6.10 OS=Opistophthalmus carinatus PE=2 SV=1
12 : KAX65_PANIM 1QKY 0.56 0.74 1 34 4 37 34 0 0 38 P58490 Potassium channel toxin alpha-KTx 6.5 OS=Pandinus imperator PE=1 SV=1
13 : KAX69_OPICA 0.56 0.79 1 34 27 60 34 0 0 61 Q6XLL6 Potassium channel toxin alpha-KTx 6.9 OS=Opistophthalmus carinatus PE=2 SV=1
## ALIGNMENTS 1 - 13
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A V 0 0 119 12 7 VIIIIIIIIII
2 2 A S - 0 0 113 14 58 SSSKKSKKRRRRR
3 3 A a + 0 0 38 14 0 CCCCCCCCCCCCC
4 4 A T + 0 0 145 14 80 RRTRRTTRSGSTS
5 5 A G + 0 0 60 14 58 TTGTTGLTGGGGG
6 6 A S S S- 0 0 71 14 57 PPSPPSSPSSSTT
7 7 A K S S- 0 0 186 14 18 KKKKKKKKRRKKR
8 8 A D S S+ 0 0 119 14 19 DDDDDQDDDDQDE
9 9 A b > + 0 0 33 14 0 CCCCCCCCCCCCC
10 10 A Y H > S+ 0 0 40 14 74 AAYAAYYAYYYYY
11 11 A A H > S+ 0 0 26 14 73 DDAGDDSDSRGIA
12 12 A P H > S+ 0 0 76 14 0 PPPPPPPPPPPPP
13 13 A c H >X S+ 0 0 32 14 0 CCCCCCCCCCCCC
14 14 A R H 3X S+ 0 0 116 14 46 RRRRRKKRMQKRQ
15 15 A K H 3< S+ 0 0 163 14 39 KKKKKRKKKKQYK
16 16 A Q H << S+ 0 0 166 14 64 EEQQQKEQQRQIL
17 17 A T H < S- 0 0 25 14 0 TTTTTTTTTTTTT
18 18 A G < + 0 0 23 14 0 GGGGGGGGGGGGG
19 19 A d S S- 0 0 14 14 0 CCCCCCCCCCCCC
20 20 A P S S+ 0 0 68 14 51 PPPPPPPPPPTFL
21 21 A Y - 0 0 145 14 64 YHNHHNRHNNNNN
22 22 A G B -A 31 0A 3 14 43 GGAGGAAAAASSA
23 23 A K + 0 0 127 14 7 KKKKKKKKKKKRK
24 24 A a + 0 0 6 14 0 CCCCCCCCCCCCC
25 25 A M B > -B 28 0B 117 14 32 MMIMMMIMIIMIM
26 26 A N T 3 S- 0 0 123 14 0 NNNNNNNNNNNNN
27 27 A R T 3 S+ 0 0 246 14 28 RRKRRKRKKKKKK
28 28 A K B < -B 25 0B 120 14 76 KKSTTSNTSTVSA
29 29 A b + 0 0 35 14 0 CCCCCCCCCCCCC
30 30 A K - 0 0 119 14 18 KKKRRKKRKKKKK
31 31 A c B -A 22 0A 39 14 0 CCCCCCCCCCCCC
32 32 A N - 0 0 57 14 70 NNYNNYYHYYYYY
33 33 A R 0 0 220 14 80 RRGRRGGRGGGGG
34 34 A d 0 0 106 14 0 CCCCCCCCCCCCC
## 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 17 0 83 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12 0 0 0.451 15 0.92
2 2 A 0 0 0 0 0 0 0 0 0 0 36 0 0 0 36 29 0 0 0 0 14 0 0 1.093 36 0.41
3 3 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
4 4 A 0 0 0 0 0 0 0 7 0 0 21 36 0 0 36 0 0 0 0 0 14 0 0 1.254 41 0.19
5 5 A 0 7 0 0 0 0 0 57 0 0 0 36 0 0 0 0 0 0 0 0 14 0 0 0.876 29 0.42
6 6 A 0 0 0 0 0 0 0 0 0 36 50 14 0 0 0 0 0 0 0 0 14 0 0 0.992 33 0.42
7 7 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 21 79 0 0 0 0 14 0 0 0.520 17 0.81
8 8 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14 7 0 79 14 0 0 0.656 21 0.80
9 9 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
10 10 A 0 0 0 0 0 0 64 0 36 0 0 0 0 0 0 0 0 0 0 0 14 0 0 0.652 21 0.26
11 11 A 0 0 7 0 0 0 0 14 21 0 14 0 0 0 7 0 0 0 0 36 14 0 0 1.631 54 0.27
12 12 A 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
13 13 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
14 14 A 0 0 0 7 0 0 0 0 0 0 0 0 0 0 57 21 14 0 0 0 14 0 0 1.116 37 0.54
15 15 A 0 0 0 0 0 0 7 0 0 0 0 0 0 0 7 79 7 0 0 0 14 0 0 0.755 25 0.61
16 16 A 0 7 7 0 0 0 0 0 0 0 0 0 0 0 7 7 50 21 0 0 14 0 0 1.431 47 0.35
17 17 A 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
18 18 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 14 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 14 0 0 0.000 0 1.00
20 20 A 0 7 0 0 7 0 0 0 0 79 0 7 0 0 0 0 0 0 0 0 14 0 0 0.755 25 0.49
21 21 A 0 0 0 0 0 0 14 0 0 0 0 0 0 29 7 0 0 0 50 0 14 0 0 1.171 39 0.35
22 22 A 0 0 0 0 0 0 0 36 50 0 14 0 0 0 0 0 0 0 0 0 14 0 0 0.992 33 0.57
23 23 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 93 0 0 0 0 14 0 0 0.257 8 0.92
24 24 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
25 25 A 0 0 36 64 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14 0 0 0.652 21 0.67
26 26 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 14 0 0 0.000 0 1.00
27 27 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 43 57 0 0 0 0 14 0 0 0.683 22 0.71
28 28 A 7 0 0 0 0 0 0 0 7 0 29 29 0 0 0 21 0 0 7 0 14 0 0 1.611 53 0.23
29 29 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
30 30 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 21 79 0 0 0 0 14 0 0 0.520 17 0.81
31 31 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
32 32 A 0 0 0 0 0 0 57 0 0 0 0 0 0 7 0 0 0 0 36 0 14 0 0 0.876 29 0.30
33 33 A 0 0 0 0 0 0 0 57 0 0 0 0 0 0 43 0 0 0 0 0 14 0 0 0.683 22 0.20
34 34 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
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