Complet list of 1du9 hssp file
Complete list of 1du9.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1DU9
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 17-JAN-00 1DU9
COMPND MOL_ID: 1; MOLECULE: BMP02 NEUROTOXIN; CHAIN: A
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: MESOBUTHUS MARTENSII; ORGANISM_COMMON:
AUTHOR Y.XU,J.WU,J.PEI,Y.SHI,Y.JI,Q.TONG
DBREF 1DU9 A 1 28 UNP Q9NJP7 SCP2_MESMA 29 56
SEQLENGTH 28
NCHAIN 1 chain(s) in 1DU9 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 : KAX91_MESMA 1.00 1.00 1 28 29 56 28 0 0 56 Q9NJP7 Potassium channel toxin alpha-KTx 9.1 OS=Mesobuthus martensii PE=1 SV=1
2 : B8XH46_BUTOS 0.96 0.96 1 28 29 56 28 0 0 56 B8XH46 Putative potassium channel toxin Tx784 OS=Buthus occitanus israelis PE=4 SV=1
3 : KAX92_MESMA 0.96 1.00 1 28 29 56 28 0 0 56 Q9U8D1 Potassium channel toxin alpha-KTx 9.2 OS=Mesobuthus martensii PE=1 SV=1
4 : KAX93_LEIQH 0.96 1.00 1 28 1 28 28 0 0 28 P80669 Potassium channel toxin alpha-KTx 9.3 OS=Leiurus quinquestriatus hebraeus PE=1 SV=1
5 : KAX96_HOTJU 0.96 0.96 1 28 1 28 28 0 0 28 P83405 Potassium channel toxin alpha-KTx 9.6 OS=Hottentotta judaicus PE=1 SV=1
6 : Q9UAC6_MESMA 0.96 1.00 1 28 29 56 28 0 0 56 Q9UAC6 Bmp-03 neurotoxin (Precursor) OS=Mesobuthus martensii PE=4 SV=1
7 : B8XH33_BUTOS 0.93 0.93 1 28 16 43 28 0 0 43 B8XH33 Putative potassium channel toxin Tx549 OS=Buthus occitanus israelis PE=4 SV=1
8 : F1CIV1_HOTJU 0.93 0.93 1 28 16 43 28 0 0 43 F1CIV1 Ryanodine-receptor toxin isoform 2 OS=Hottentotta judaicus PE=4 SV=1
9 : KAX95_BUTOC 0.93 0.96 1 28 1 28 28 0 0 28 P84744 Potassium channel toxin alpha-KTx 9.5 OS=Buthus occitanus tunetanus PE=1 SV=1
10 : KAX97_HOTJU 0.93 0.93 1 28 1 28 28 0 0 28 P83406 Potassium channel toxin alpha-KTx 9.7 OS=Hottentotta judaicus PE=1 SV=1
11 : KAX9A_MESEU 0.93 0.96 1 27 1 27 27 0 0 28 P86398 Potassium channel toxin alpha-KTx 9.10 OS=Mesobuthus eupeus PE=1 SV=1
12 : SCX2_HOTTS 0.86 0.93 1 28 1 28 28 0 0 28 P15230 Peptide 2 OS=Hottentotta tamulus sindicus PE=1 SV=1
13 : KAX94_MESTA 0.75 0.89 1 28 1 28 28 0 0 32 P60209 Potassium channel toxin alpha-KTx 9.4 OS=Mesobuthus tamulus PE=1 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 0 110 14 0 VVVVVVVVVVVVV
2 2 A G > - 0 0 23 14 0 GGGGGGGGGGGGG
3 3 A a T 3 S+ 0 0 86 14 0 CCCCCCCCCCCCC
4 4 A E T 3 S+ 0 0 190 14 26 EEEEEEEEEEEEA
5 5 A E S <> S+ 0 0 119 14 0 EEEEEEEEEEEEE
6 6 A b H > S+ 0 0 7 14 28 CCCCCCCCCCCDC
7 7 A P H 4 S+ 0 0 84 14 0 PPPPPPPPPPPPP
8 8 A M H 4 S+ 0 0 153 14 38 MMMMAMMAMAMMM
9 9 A H H < S+ 0 0 126 14 0 HHHHHHHHHHHHH
10 10 A c S < S+ 0 0 42 14 0 CCCCCCCCCCCCC
11 11 A K + 0 0 168 14 0 KKKKKKKKKKKKK
12 12 A G S S- 0 0 58 14 0 GGGGGGGGGGGGG
13 13 A K S S+ 0 0 196 14 0 KKKKKKKKKKKKK
14 14 A N S S+ 0 0 137 14 75 NMNNNNMNHNNQM
15 15 A A - 0 0 39 14 0 AAAAAAAAAAAAA
16 16 A K - 0 0 144 14 65 KKNKKNKIVIVKK
17 17 A P E -A 26 0A 47 14 0 PPPPPPPPPPPPP
18 18 A T E -A 25 0A 67 14 0 TTTTTTTTTTTTT
19 19 A a E +A 24 0A 53 14 0 CCCCCCCCCCCCC
20 20 A D E > S-A 23 0A 107 14 55 DDDDDDYDDDDCE
21 21 A D T 3 S- 0 0 153 14 32 DDDNDDDDDDNNN
22 22 A G T 3 S+ 0 0 75 14 22 GGGGGGGGGGGGE
23 23 A V E < -A 20 0A 77 14 0 VVVVVVVVVVVVV
24 24 A b E +A 19 0A 19 14 0 CCCCCCCCCCCCC
25 25 A N E -A 18 0A 97 14 24 NNNNNNNNNNNNK
26 26 A c E +A 17 0A 39 14 0 CCCCCCCCCCCCC
27 27 A N 0 0 116 14 0 NNNNNNNNNNNNN
28 28 A V 0 0 148 13 9 VVVVVVVVVV VI
## 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 14 0 0 0.000 0 1.00
2 2 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
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 0 7 0 0 0 0 0 0 0 0 93 0 0 14 0 0 0.257 8 0.73
5 5 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 14 0 0 0.000 0 1.00
6 6 A 0 0 0 0 0 0 0 0 0 0 0 0 93 0 0 0 0 0 0 7 14 0 0 0.257 8 0.71
7 7 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
8 8 A 0 0 0 79 0 0 0 0 21 0 0 0 0 0 0 0 0 0 0 0 14 0 0 0.520 17 0.61
9 9 A 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 14 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 14 0 0 0.000 0 1.00
11 11 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 14 0 0 0.000 0 1.00
12 12 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
13 13 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 14 0 0 0.000 0 1.00
14 14 A 0 0 0 21 0 0 0 0 0 0 0 0 0 7 0 0 7 0 64 0 14 0 0 0.991 33 0.24
15 15 A 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
16 16 A 14 0 14 0 0 0 0 0 0 0 0 0 0 0 0 57 0 0 14 0 14 0 0 1.154 38 0.35
17 17 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
18 18 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
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 0 0 0 0 0 7 0 0 0 0 0 7 0 0 0 0 7 0 79 14 0 0 0.755 25 0.45
21 21 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 29 71 14 0 0 0.598 19 0.68
22 22 A 0 0 0 0 0 0 0 93 0 0 0 0 0 0 0 0 0 7 0 0 14 0 0 0.257 8 0.78
23 23 A 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
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 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 93 0 14 0 0 0.257 8 0.76
26 26 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
27 27 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
28 28 A 92 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 13 0 0 0.271 9 0.90
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
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