Complet list of 1kqi hssp file
Complete list of 1kqi.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1KQI
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 2014-05-03
HEADER TOXIN 06-JAN-02 1KQI
COMPND MOL_ID: 1; MOLECULE: ACTX-HI:OB4219; CHAIN: A
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: HADRONYCHE INFENSA; ORGANISM_TAXID: 15
AUTHOR K.J.ROSENGREN,D.WILSON,N.L.DALY,P.F.ALEWOOD,D.J.CRAIK
DBREF 1KQI A 1 38 PDB 1KQI 1KQI 1 38
SEQLENGTH 38
NCHAIN 1 chain(s) in 1KQI data set
NALIGN 6
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 : TXMO_HADIN 1KQH 1.00 1.00 1 38 1 38 38 0 0 38 P60272 U2-hexatoxin-Hi1a OS=Hadronyche infensa PE=1 SV=1
2 : TXDP3_PIRLC 0.48 0.58 2 34 3 35 33 0 0 36 P83258 Delta-amaurobitoxin-Pl1c OS=Pireneitega luctuosa PE=1 SV=1
3 : TAG3F_AGEOR 0.47 0.69 2 33 37 68 32 0 0 74 Q5Y4V3 Beta/delta-agatoxin-1 OS=Agelena orientalis PE=1 SV=1
4 : TAG3G_AGEOR 0.47 0.69 2 33 37 68 32 0 0 74 Q5Y4V2 Beta/delta-agatoxin-2 OS=Agelena orientalis PE=1 SV=1
5 : TAG3H_AGEOR 0.47 0.69 2 33 37 68 32 0 0 74 Q5Y4V1 U3-agatoxin-Ao1h OS=Agelena orientalis PE=2 SV=1
6 : TXDP1_PIRLC 1V90 0.44 0.61 2 37 2 37 36 0 0 37 P83256 Delta-amaurobitoxin-Pl1a OS=Pireneitega luctuosa PE=1 SV=1
## ALIGNMENTS 1 - 6
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A K 0 0 206 2 0 K
2 2 A a - 0 0 55 7 0 CCCCCC
3 3 A L B -a 17 0A 31 7 32 LLVVVL
4 4 A A > - 0 0 44 7 53 ANGGGG
5 5 A E T 3 S+ 0 0 102 7 0 EEEEEE
6 6 A A T 3 S+ 0 0 59 7 60 AGSSSG
7 7 A A E < -B 33 0B 20 7 71 ADQQQE
8 8 A D E -B 32 0B 130 7 89 DWQQQK
9 9 A b - 0 0 24 7 0 CCCCCC
10 10 A S - 0 0 46 7 46 SAAAAA
11 11 A P S S- 0 0 104 7 59 PDDDDD
12 12 A W S S+ 0 0 243 7 0 WWWWWW
13 13 A S S S+ 0 0 113 7 0 SSSSSS
14 14 A G S S- 0 0 46 7 0 GGGGGG
15 15 A D - 0 0 46 7 59 DPPPPP
16 16 A S - 0 0 93 7 87 SSYYYS
17 17 A c B -a 3 0A 38 7 0 CCCCCC
18 18 A a > - 0 0 24 7 0 CCCCCC
19 19 A K T 3 S+ 0 0 176 7 55 KGKKKD
20 20 A P T 3 S+ 0 0 84 7 67 PEGGGG
21 21 A Y < - 0 0 64 7 36 YMYYYF
22 22 A L E -C 34 0B 84 7 55 LWYYYY
23 23 A b E -C 33 0B 39 7 0 CCCCCC
24 24 A S E +C 32 0B 1 7 55 SSTTTS
25 25 A d + 0 0 77 7 0 CCCCCC
26 26 A I - 0 0 73 7 97 IPRRQR
27 27 A F S S+ 0 0 217 7 80 FGYYYS
28 28 A F S S+ 0 0 175 7 21 FFFFFM
29 29 A Y S S- 0 0 103 7 114 YGPPPP
30 30 A P - 0 0 95 7 93 PKKKKY
31 31 A d S S+ 0 0 63 7 0 CCCCCC
32 32 A S E -BC 8 24B 8 7 101 SRIIIR
33 33 A c E +BC 7 23B 0 7 0 CCCCCC
34 34 A R E - C 0 22B 53 4 26 RK R
35 35 A P > - 0 0 56 3 100 P N
36 36 A K T 3 S+ 0 0 139 3 73 K N
37 37 A G T 3 0 0 74 3 59 G S
38 38 A W < 0 0 166 2 0 W
## 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 0 100 0 0 0 0 2 0 0 0.000 0 1.00
2 2 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
3 3 A 43 57 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0.683 22 0.68
4 4 A 0 0 0 0 0 0 0 57 29 0 0 0 0 0 0 0 0 0 14 0 7 0 0 0.956 31 0.46
5 5 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
6 6 A 0 0 0 0 0 0 0 29 29 0 43 0 0 0 0 0 0 0 0 0 7 0 0 1.079 36 0.40
7 7 A 0 0 0 0 0 0 0 0 29 0 0 0 0 0 0 0 43 14 0 14 7 0 0 1.277 42 0.28
8 8 A 0 0 0 0 0 14 0 0 0 0 0 0 0 0 0 14 43 0 0 29 7 0 0 1.277 42 0.11
9 9 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
10 10 A 0 0 0 0 0 0 0 0 71 0 29 0 0 0 0 0 0 0 0 0 7 0 0 0.598 19 0.53
11 11 A 0 0 0 0 0 0 0 0 0 29 0 0 0 0 0 0 0 0 0 71 7 0 0 0.598 19 0.40
12 12 A 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
13 13 A 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
14 14 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
15 15 A 0 0 0 0 0 0 0 0 0 71 0 0 0 0 0 0 0 0 0 29 7 0 0 0.598 19 0.40
16 16 A 0 0 0 0 0 0 43 0 0 0 57 0 0 0 0 0 0 0 0 0 7 0 0 0.683 22 0.13
17 17 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
18 18 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
19 19 A 0 0 0 0 0 0 0 14 0 0 0 0 0 0 0 71 0 0 0 14 7 0 0 0.796 26 0.45
20 20 A 0 0 0 0 0 0 0 57 0 29 0 0 0 0 0 0 0 14 0 0 7 0 0 0.956 31 0.33
21 21 A 0 0 0 14 14 0 71 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0.796 26 0.64
22 22 A 0 29 0 0 0 14 57 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0.956 31 0.45
23 23 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
24 24 A 0 0 0 0 0 0 0 0 0 0 57 43 0 0 0 0 0 0 0 0 7 0 0 0.683 22 0.45
25 25 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
26 26 A 0 0 29 0 0 0 0 0 0 14 0 0 0 0 43 0 14 0 0 0 7 0 0 1.277 42 0.03
27 27 A 0 0 0 0 29 0 43 14 0 0 14 0 0 0 0 0 0 0 0 0 7 0 0 1.277 42 0.19
28 28 A 0 0 0 14 86 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0.410 13 0.79
29 29 A 0 0 0 0 0 0 29 14 0 57 0 0 0 0 0 0 0 0 0 0 7 0 0 0.956 31 -0.14
30 30 A 0 0 0 0 0 0 14 0 0 29 0 0 0 0 0 57 0 0 0 0 7 0 0 0.956 31 0.06
31 31 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
32 32 A 0 0 43 0 0 0 0 0 0 0 29 0 0 0 29 0 0 0 0 0 7 0 0 1.079 36 -0.02
33 33 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
34 34 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 75 25 0 0 0 0 4 0 0 0.562 18 0.74
35 35 A 0 0 0 0 0 0 0 0 0 67 0 0 0 0 0 0 0 0 33 0 3 0 0 0.637 21 0.00
36 36 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 67 0 0 33 0 3 0 0 0.637 21 0.27
37 37 A 0 0 0 0 0 0 0 67 0 0 33 0 0 0 0 0 0 0 0 0 3 0 0 0.637 21 0.40
38 38 A 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0.000 0 1.00
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
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