Complet list of 1qky hssp file
Complete list of 1qky.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1QKY
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 2014-05-07
HEADER NEUROTOXIN 17-AUG-99 1QKY
COMPND MOL_ID: 1; MOLECULE: TOXIN 7 FROM PANDINUS IMPERATOR; CHAIN: A; SYNONY
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: PANDINUS IMPERATOR; ORGANISM_COMMON: S
AUTHOR M.DELEPIERRE,A.PROCHNICKA-CHALUFOUR,J.BOISBOUVIER, L.D.POSSANI
DBREF 1QKY A 1 38 PDB 1QKY 1QKY 1 38
SEQLENGTH 38
NCHAIN 1 chain(s) in 1QKY data set
NALIGN 20
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 : KAX65_PANIM 1QKY 1.00 1.00 1 38 1 38 38 0 0 38 P58490 Potassium channel toxin alpha-KTx 6.5 OS=Pandinus imperator PE=1 SV=1
2 : KAX62_SCOMA 1WPD 0.74 0.85 4 37 1 34 34 0 0 34 P80719 Potassium channel toxin alpha-KTx 6.2 OS=Scorpio maurus palmatus PE=1 SV=1
3 : KAX6D_HETSP 1V56 0.71 0.85 4 37 1 34 34 0 0 34 P84094 Potassium channel toxin alpha-KTx 6.13 OS=Heterometrus spinifer PE=1 SV=1
4 : KAX64_PANIM 1N8M 0.68 0.86 2 38 2 38 37 0 0 38 P58498 Potassium channel toxin alpha-KTx 6.4 OS=Pandinus imperator PE=1 SV=1
5 : I6NWV2_HETLA 0.65 0.84 2 38 25 61 37 0 0 61 I6NWV2 Kv1.3 potassium channel blocker (Precursor) OS=Heterometrus laoticus GN=Tx3 PE=3 SV=1
6 : KAX6A_OPICA 0.65 0.81 2 38 24 60 37 0 0 60 Q6XLL5 Potassium channel toxin alpha-KTx 6.10 OS=Opistophthalmus carinatus PE=2 SV=1
7 : KAX69_OPICA 0.64 0.92 2 37 25 60 36 0 0 61 Q6XLL6 Potassium channel toxin alpha-KTx 6.9 OS=Opistophthalmus carinatus PE=2 SV=1
8 : KAX61_PANIM 1WZ5 0.62 0.76 4 37 2 35 34 0 0 35 Q10726 Potassium channel toxin alpha-KTx 6.1 OS=Pandinus imperator PE=1 SV=1
9 : KAX6H_OPICY 0.62 0.79 4 37 1 34 34 0 0 34 P86116 Potassium channel toxin alpha-KTx 6.17 OS=Opisthacanthus cayaporum PE=1 SV=2
10 : KAX6F_HEMLE 0.60 0.83 4 38 1 35 35 0 0 35 P85528 Potassium channel toxin alpha-KTx 6.15 OS=Hemiscorpius lepturus PE=1 SV=1
11 : KAX_ISOMC 0.50 0.67 6 35 30 59 30 0 0 60 P0CJ24 Potassium channel toxin ImKTx88 OS=Isometrus maculatus PE=2 SV=1
12 : KAX68_OPICA 0.49 0.68 2 38 25 61 37 0 0 61 Q6XLL7 Potassium channel toxin alpha-KTx 6.8 OS=Opistophthalmus carinatus PE=2 SV=1
13 : H2CYS1_PANCV 0.48 0.64 6 38 31 63 33 0 0 63 H2CYS1 Alpha-KTx-like peptide OS=Pandinus cavimanus PE=3 SV=1
14 : KAX63_HETSP 1WPD 0.48 0.61 5 37 2 34 33 0 0 34 P59867 Potassium channel toxin alpha-KTx 6.3 OS=Heterometrus spinifer PE=1 SV=1
15 : I6NXS5_HETLA 0.47 0.62 5 38 2 35 34 0 0 35 I6NXS5 Kv1.3 potassium channel blocker (Fragment) OS=Heterometrus laoticus GN=Tx2 PE=2 SV=1
16 : KAX71_PANIM 2PTA 0.47 0.69 1 36 11 46 36 0 0 47 P55927 Potassium channel toxin alpha-KTx 7.1 (Fragment) OS=Pandinus imperator GN=PTX-1 PE=1 SV=2
17 : KAX72_PANIM 1C49 0.47 0.71 3 36 1 34 34 0 0 35 P55928 Potassium channel toxin alpha-KTx 7.2 OS=Pandinus imperator PE=1 SV=1
18 : KA231_VAEMS 2K9O 0.46 0.63 3 37 3 36 35 1 1 36 P0DJ31 Potassium channel toxin alpha-KTx 23.1 OS=Vaejovis mexicanus smithi PE=1 SV=1
19 : KAX66_OPICA 0.46 0.68 2 38 25 61 37 0 0 61 Q6XLL9 Potassium channel toxin alpha-KTx 6.6 OS=Opistophthalmus carinatus PE=2 SV=1
20 : KAX67_OPICA 0.46 0.68 2 38 25 61 37 0 0 61 Q6XLL8 Potassium channel toxin alpha-KTx 6.7 OS=Opistophthalmus carinatus PE=2 SV=1
## ALIGNMENTS 1 - 20
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A D 0 0 227 3 0 D D
2 2 A E - 0 0 174 10 19 E EEEE E K EE
3 3 A A S S- 0 0 68 12 68 A AGVI V TTAVV
4 4 A I - 0 0 68 17 5 IVIIIIIVII I IIIII
5 5 A R B -A 31 0A 149 19 57 RSRRSRRKRK K SSSSSKK
6 6 A a - 0 0 4 21 0 CCCCCCCCCCCCCCCCCCCC
7 7 A T S S- 0 0 118 21 82 TTSGTSSRQTNRGRRTTVRR
8 8 A G S >> S- 0 0 31 21 52 GGGGGGGGGLGTGTTNNGTT
9 9 A T H 3> S+ 0 0 78 21 57 TSSSSSTTSSSPSPPPESPP
10 10 A K H 34 S+ 0 0 167 21 48 KKRRKKRSNKSKSKKKKPKK
11 11 A D H X4 S+ 0 0 66 21 29 DDDDQQEDQDEDEDDQQEDD
12 12 A b H 3X S+ 0 0 0 21 0 CCCCCCCCCCCCCCCCCCCC
13 13 A Y H 3X S+ 0 0 70 21 81 YYYYYYYGYYYARAAYYPAA
14 14 A I H <> S+ 0 0 99 21 81 IASRDGARGSSDKDDPPPGD
15 15 A P H > S+ 0 0 29 21 39 PPPPPPPPHPHPPPPHHKPP
16 16 A c H X>S+ 0 0 2 21 0 CCCCCCCCCCCCCCCCCCCC
17 17 A R H <5S+ 0 0 153 21 56 RRMQKKQQRKERARRKKRRR
18 18 A Y H <5S+ 0 0 204 21 67 YKKKRQKQEKGKRKKKKAKK
19 19 A I H <5S+ 0 0 114 21 73 IQQRKQLQKEIQAEEEEQQQ
20 20 A T T <5S- 0 0 66 21 8 TTTTTTTTTTTTTTTTTGTT
21 21 A G < + 0 0 40 20 0 GGGGGGGGGGGGGGGGG.GG
22 22 A d S S- 0 0 32 21 25 CCCCCCCCCCKCYCCYYCCC
23 23 A F + 0 0 80 21 76 FPPPPTLPMPRPYPPPPKPP
24 24 A N + 0 0 57 21 54 NNNNNNNNNRSHSYHNNNHH
25 25 A S E -B 34 0A 14 21 44 SAAAASASGAGASGGAAGGG
26 26 A R E -B 33 0A 139 21 8 RKKKKKKKKKKKKKKKKKKK
27 27 A a E +B 32 0A 19 21 0 CCCCCCCCCCCCCCCCCCCC
28 28 A I E > S-B 31 0A 78 21 34 IIIIMMMIIIIMIMMMMMMM
29 29 A N T 3 S- 0 0 145 21 0 NNNNNNNNNNNNNNNNNNNN
30 30 A K T 3 S+ 0 0 128 21 37 KKKKKKKRRRKKGRRRRRRR
31 31 A S E < -AB 5 28A 17 21 76 SSSTSVAMVNKTSKKKKKTT
32 32 A b E - B 0 27A 15 21 0 CCCCCCCCCCCCCCCCCCCC
33 33 A K E - B 0 26A 129 21 40 KKKKKKKKKKYRVKKKKKRR
34 34 A c E - B 0 25A 44 21 0 CCCCCCCCCCCCCCCCCCCC
35 35 A Y - 0 0 172 21 47 YYYYYYYYYYYHYNNFFYNN
36 36 A G - 0 0 21 20 69 GGGGGGGGGG RGRRGGYRR
37 37 A d 0 0 84 18 7 CCCCCCCCCC CSCC CCC
38 38 A T 0 0 183 11 43 T SGG S GG G GG
## 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 0 0 0 0 0 0 0 10 0 90 0 0 10 0 0 0.325 10 0.81
3 3 A 33 0 8 0 0 0 0 8 33 0 0 17 0 0 0 0 0 0 0 0 12 0 0 1.445 48 0.32
4 4 A 12 0 88 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 17 0 0 0.362 12 0.94
5 5 A 0 0 0 0 0 0 0 0 0 0 37 0 0 0 37 26 0 0 0 0 19 0 0 1.087 36 0.42
6 6 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 21 0 0 0.000 0 1.00
7 7 A 5 0 0 0 0 0 0 10 0 0 14 33 0 0 29 0 5 0 5 0 21 0 0 1.661 55 0.18
8 8 A 0 5 0 0 0 0 0 62 0 0 0 24 0 0 0 0 0 0 10 0 21 0 0 1.007 33 0.47
9 9 A 0 0 0 0 0 0 0 0 0 29 48 19 0 0 0 0 0 5 0 0 21 0 0 1.172 39 0.42
10 10 A 0 0 0 0 0 0 0 0 0 5 14 0 0 0 14 62 0 0 5 0 21 0 0 1.143 38 0.51
11 11 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 24 19 0 57 21 0 0 0.977 32 0.70
12 12 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 21 0 0 0.000 0 1.00
13 13 A 0 0 0 0 0 0 62 5 24 5 0 0 0 0 5 0 0 0 0 0 21 0 0 1.073 35 0.18
14 14 A 0 0 10 0 0 0 0 14 10 14 14 0 0 0 10 5 0 0 0 24 21 0 0 1.992 66 0.19
15 15 A 0 0 0 0 0 0 0 0 0 76 0 0 0 19 0 5 0 0 0 0 21 0 0 0.668 22 0.60
16 16 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 21 0 0 0.000 0 1.00
17 17 A 0 0 0 5 0 0 0 0 5 0 0 0 0 0 48 24 14 5 0 0 21 0 0 1.408 46 0.44
18 18 A 0 0 0 0 0 0 10 5 5 0 0 0 0 0 10 57 10 5 0 0 21 0 0 1.427 47 0.32
19 19 A 0 5 14 0 0 0 0 0 5 0 0 0 0 0 5 10 38 24 0 0 21 0 0 1.646 54 0.26
20 20 A 0 0 0 0 0 0 0 5 0 0 0 95 0 0 0 0 0 0 0 0 21 1 0 0.191 6 0.92
21 21 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 20 0 0 0.000 0 1.00
22 22 A 0 0 0 0 0 0 14 0 0 0 0 0 81 0 0 5 0 0 0 0 21 0 0 0.594 19 0.74
23 23 A 0 5 0 5 10 0 5 0 0 62 0 5 0 0 5 5 0 0 0 0 21 0 0 1.391 46 0.24
24 24 A 0 0 0 0 0 0 5 0 0 0 10 0 0 19 5 0 0 0 62 0 21 0 0 1.127 37 0.46
25 25 A 0 0 0 0 0 0 0 33 43 0 24 0 0 0 0 0 0 0 0 0 21 0 0 1.071 35 0.56
26 26 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 10 90 0 0 0 0 21 0 0 0.314 10 0.91
27 27 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 21 0 0 0.000 0 1.00
28 28 A 0 0 48 52 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 21 0 0 0.692 23 0.66
29 29 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 21 0 0 0.000 0 1.00
30 30 A 0 0 0 0 0 0 0 5 0 0 0 0 0 0 48 48 0 0 0 0 21 0 0 0.852 28 0.63
31 31 A 10 0 0 5 0 0 0 0 5 0 29 19 0 0 0 29 0 0 5 0 21 0 0 1.691 56 0.24
32 32 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 21 0 0 0.000 0 1.00
33 33 A 5 0 0 0 0 0 5 0 0 0 0 0 0 0 14 76 0 0 0 0 21 0 0 0.775 25 0.59
34 34 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 21 0 0 0.000 0 1.00
35 35 A 0 0 0 0 10 0 67 0 0 0 0 0 0 5 0 0 0 0 19 0 21 0 0 0.955 31 0.52
36 36 A 0 0 0 0 0 0 5 70 0 0 0 0 0 0 25 0 0 0 0 0 20 0 0 0.746 24 0.31
37 37 A 0 0 0 0 0 0 0 0 0 0 6 0 94 0 0 0 0 0 0 0 18 0 0 0.215 7 0.92
38 38 A 0 0 0 0 0 0 0 64 0 0 18 18 0 0 0 0 0 0 0 0 11 0 0 0.908 30 0.57
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
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