Complet list of 1ie6 hssp file
Complete list of 1ie6.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1IE6
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 2014-04-30
HEADER TOXIN 07-APR-01 1IE6
COMPND MOL_ID: 1; MOLECULE: IMPERATOXIN A; CHAIN: A; SYNONYM: PEPTIDE NEUROTO
SOURCE MOL_ID: 1; SYNTHETIC: YES; OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY S
AUTHOR C.W.LEE,K.TAKEUCHI,H.TAKAHASHI,K.SATO,I.SHIMADA,D.H.KIM, J.I.KIM
DBREF 1IE6 A 1 33 UNP P59868 IPTXA_PANIM 1 33
SEQLENGTH 33
NCHAIN 1 chain(s) in 1IE6 data set
NALIGN 7
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 : IPTXA_PANIM 1IE6 1.00 1.00 1 33 1 33 33 0 0 33 P59868 Imperatoxin-A OS=Pandinus imperator PE=1 SV=1
2 : SCX1_OPICA 0.88 0.97 1 33 34 66 33 0 0 66 P60252 Opicalcin-1 OS=Opistophthalmus carinatus PE=3 SV=1
3 : SCX2_OPICA 0.85 0.97 1 33 34 66 33 0 0 66 P60253 Opicalcin-2 OS=Opistophthalmus carinatus PE=3 SV=1
4 : SCXC_SCOMA 1C6W 0.82 0.91 1 33 1 33 33 0 0 33 P60254 Maurocalcin OS=Scorpio maurus palmatus PE=1 SV=1
5 : L0GBR1_9SCOR 0.72 0.81 2 33 37 68 32 0 0 68 L0GBR1 Putative calcium-channel toxin 20 (Precursor) OS=Urodacus yaschenkoi PE=4 SV=1
6 : SCXC_HADGE 0.69 0.91 2 33 43 74 32 0 0 74 B8QG00 Hadrucalcin OS=Hadrurus gertschi PE=1 SV=1
7 : D0LSG5_HALO1 0.52 0.59 1 27 513 539 27 0 0 543 D0LSG5 Peptidase S8 and S53 subtilisin kexin sedolisin (Precursor) OS=Haliangium ochraceum (strain DSM 14365 / JCM 11303 / SMP-2) GN=Hoch_3162 PE=3 SV=1
## ALIGNMENTS 1 - 7
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A G 0 0 135 6 0 GGGG G
2 2 A D - 0 0 138 8 16 DDDDDDE
3 3 A a - 0 0 58 8 0 CCCCCCC
4 4 A L B -a 16 0A 42 8 13 LLLLLIL
5 5 A P > - 0 0 58 8 43 PPPPKKP
6 6 A H T 3 S+ 0 0 113 8 69 HHHHKHA
7 7 A L T 3 S+ 0 0 119 8 66 LLLLLLG
8 8 A K S < S- 0 0 131 8 63 KKKKKQA
9 9 A R B -B 31 0B 123 8 85 RRRLLRS
10 10 A b - 0 0 0 8 0 CCCCCCC
11 11 A K S S+ 0 0 149 8 53 KKKKKRS
12 12 A A S > S- 0 0 33 8 52 AEEEEEA
13 13 A D G > S+ 0 0 66 8 34 DNNNNND
14 14 A N G 3 S+ 0 0 110 8 71 NNNKKKA
15 15 A D G < S+ 0 0 53 8 0 DDDDDDD
16 16 A c B < S-a 4 0A 5 8 0 CCCCCCC
17 17 A a S S+ 0 0 76 8 0 CCCCCCC
18 18 A G S S- 0 0 49 8 24 GSSSSSS
19 19 A K S S+ 0 0 145 8 49 KKKKKKA
20 20 A K + 0 0 134 8 71 KKKKSKV
21 21 A b B -C 32 0C 1 8 0 CCCCCCC
22 22 A K + 0 0 85 8 53 KKKKKSS
23 23 A R - 0 0 37 8 59 RRRRRRG
24 24 A R S S- 0 0 216 8 0 RRRRRRR
25 25 A G S S- 0 0 55 8 0 GGGGGGG
26 26 A T S S- 0 0 120 8 52 TTATTTK
27 27 A N S S+ 0 0 88 8 0 NNNNNNN
28 28 A A S S- 0 0 30 7 79 APPIIP
29 29 A E S S+ 0 0 77 7 0 EEEEEE
30 30 A K S S- 0 0 81 7 0 KKKKKK
31 31 A R B -B 9 0B 111 7 0 RRRRRR
32 32 A c B C 21 0C 0 7 0 CCCCCC
33 33 A R 0 0 137 7 0 RRRRRR
## 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 0 100 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0.000 0 1.00
2 2 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 13 0 88 8 0 0 0.377 12 0.83
3 3 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 8 0 0 0.000 0 1.00
4 4 A 0 88 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8 0 0 0.377 12 0.87
5 5 A 0 0 0 0 0 0 0 0 0 75 0 0 0 0 0 25 0 0 0 0 8 0 0 0.562 18 0.56
6 6 A 0 0 0 0 0 0 0 0 13 0 0 0 0 75 0 13 0 0 0 0 8 0 0 0.736 24 0.31
7 7 A 0 88 0 0 0 0 0 13 0 0 0 0 0 0 0 0 0 0 0 0 8 0 0 0.377 12 0.34
8 8 A 0 0 0 0 0 0 0 0 13 0 0 0 0 0 0 75 13 0 0 0 8 0 0 0.736 24 0.36
9 9 A 0 25 0 0 0 0 0 0 0 0 13 0 0 0 63 0 0 0 0 0 8 0 0 0.900 30 0.14
10 10 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 8 0 0 0.000 0 1.00
11 11 A 0 0 0 0 0 0 0 0 0 0 13 0 0 0 13 75 0 0 0 0 8 0 0 0.736 24 0.47
12 12 A 0 0 0 0 0 0 0 0 38 0 0 0 0 0 0 0 0 63 0 0 8 0 0 0.662 22 0.48
13 13 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 63 38 8 0 0 0.662 22 0.65
14 14 A 0 0 0 0 0 0 0 0 13 0 0 0 0 0 0 38 0 0 50 0 8 0 0 0.974 32 0.28
15 15 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 8 0 0 0.000 0 1.00
16 16 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 8 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 8 0 0 0.000 0 1.00
18 18 A 0 0 0 0 0 0 0 25 0 0 75 0 0 0 0 0 0 0 0 0 8 0 0 0.562 18 0.75
19 19 A 0 0 0 0 0 0 0 0 13 0 0 0 0 0 0 88 0 0 0 0 8 0 0 0.377 12 0.50
20 20 A 13 0 0 0 0 0 0 0 0 0 13 0 0 0 0 75 0 0 0 0 8 0 0 0.736 24 0.29
21 21 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 8 0 0 0.000 0 1.00
22 22 A 0 0 0 0 0 0 0 0 0 0 25 0 0 0 0 75 0 0 0 0 8 0 0 0.562 18 0.46
23 23 A 0 0 0 0 0 0 0 13 0 0 0 0 0 0 88 0 0 0 0 0 8 0 0 0.377 12 0.40
24 24 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 8 0 0 0.000 0 1.00
25 25 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 8 0 0 0.000 0 1.00
26 26 A 0 0 0 0 0 0 0 0 13 0 0 75 0 0 0 13 0 0 0 0 8 0 0 0.736 24 0.47
27 27 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 8 0 0 0.000 0 1.00
28 28 A 0 0 29 0 0 0 0 0 29 43 0 0 0 0 0 0 0 0 0 0 7 0 0 1.079 36 0.21
29 29 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 7 0 0 0.000 0 1.00
30 30 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 7 0 0 0.000 0 1.00
31 31 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 7 0 0 0.000 0 1.00
32 32 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
33 33 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 7 0 0 0.000 0 1.00
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
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