Complet list of 1wmt hssp file
Complete list of 1wmt.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1WMT
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 20-JUL-04 1WMT
COMPND MOL_ID: 1; MOLECULE: ISTX; CHAIN: A; ENGINEERED: YES
SOURCE MOL_ID: 1; SYNTHETIC: YES; OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY
AUTHOR N.YAMAJI,L.DAI,K.SUGASE,M.ANDRIANTSIFERANA,T.NAKAJIMA, T.IWASHITA
DBREF 1WMT A 1 41 PDB 1WMT 1WMT 1 41
SEQLENGTH 40
NCHAIN 1 chain(s) in 1WMT data set
NALIGN 24
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 : KAX6B_OPIMA 1WMT 1.00 1.00 1 40 23 62 40 0 0 63 P0C194 Potassium channel toxin alpha-KTx 6.11 OS=Opisthacanthus madagascariensis PE=1 SV=1
2 : KAX69_OPICA 0.56 0.69 4 35 27 58 32 0 0 61 Q6XLL6 Potassium channel toxin alpha-KTx 6.9 OS=Opistophthalmus carinatus PE=2 SV=1
3 : KA159_LYCMC 0.53 0.59 2 35 26 59 34 0 0 60 D9U2A8 Potassium channel toxin alpha-KTx 15.9 OS=Lychas mucronatus PE=2 SV=1
4 : KAX61_PANIM 1WZ5 0.53 0.78 4 35 2 33 32 0 0 35 Q10726 Potassium channel toxin alpha-KTx 6.1 OS=Pandinus imperator PE=1 SV=1
5 : KAX64_PANIM 1N8M 0.53 0.75 4 35 4 35 32 0 0 38 P58498 Potassium channel toxin alpha-KTx 6.4 OS=Pandinus imperator PE=1 SV=1
6 : KAX6D_HETSP 1V56 0.53 0.72 4 35 1 32 32 0 0 34 P84094 Potassium channel toxin alpha-KTx 6.13 OS=Heterometrus spinifer PE=1 SV=1
7 : KAX6F_HEMLE 0.53 0.69 4 39 1 35 36 1 1 35 P85528 Potassium channel toxin alpha-KTx 6.15 OS=Hemiscorpius lepturus PE=1 SV=1
8 : KTXC_LYCMC 0.53 0.59 5 35 24 55 32 1 1 66 P0CI84 Putative neurotoxin-C OS=Lychas mucronatus PE=2 SV=1
9 : I6NWV2_HETLA 0.52 0.76 3 35 26 58 33 0 0 61 I6NWV2 Kv1.3 potassium channel blocker (Precursor) OS=Heterometrus laoticus GN=Tx3 PE=3 SV=1
10 : KA125_LYCMC 0.51 0.69 1 35 25 59 35 0 0 60 P0CH12 Potassium channel toxin alpha-KTx 12.5 OS=Lychas mucronatus PE=2 SV=1
11 : KAX62_SCOMA 1WPD 0.50 0.75 4 35 1 32 32 0 0 34 P80719 Potassium channel toxin alpha-KTx 6.2 OS=Scorpio maurus palmatus PE=1 SV=1
12 : KAX63_HETSP 1WPD 0.50 0.67 5 34 2 31 30 0 0 34 P59867 Potassium channel toxin alpha-KTx 6.3 OS=Heterometrus spinifer PE=1 SV=1
13 : KTXB_LYCMC 0.50 0.56 3 35 22 55 34 1 1 66 P0CI83 Putative neurotoxin-B OS=Lychas mucronatus PE=2 SV=1
14 : KAX1D_LEIQH 0.49 0.71 2 36 3 37 35 0 0 37 P59944 Potassium channel toxin alpha-KTx 1.13 OS=Leiurus quinquestriatus hebraeus PE=1 SV=1
15 : KA127_LYCMC 0.47 0.56 2 35 26 59 34 0 0 60 P0CI48 Neurotoxin alpha-KTx 12.7 OS=Lychas mucronatus PE=2 SV=1
16 : KAX21_CENNO 1SXM 0.47 0.58 3 37 4 39 36 1 1 39 P08815 Potassium channel toxin alpha-KTx 2.1 OS=Centruroides noxius PE=1 SV=3
17 : KAX28_CENEL 0.47 0.58 3 37 4 39 36 1 1 39 P0C161 Potassium channel toxin alpha-KTx 2.8 OS=Centruroides elegans PE=1 SV=1
18 : KAX29_CENEL 0.47 0.58 3 37 4 39 36 1 1 39 P0C162 Potassium channel toxin alpha-KTx 2.9 OS=Centruroides elegans PE=1 SV=1
19 : KAX6G_OPICY 0.47 0.64 1 36 29 64 36 0 0 67 C5J896 Potassium channel toxin alpha-KTx 6.16 OS=Opisthacanthus cayaporum PE=2 SV=1
20 : KAX6H_OPICY 0.47 0.69 4 35 1 32 32 0 0 34 P86116 Potassium channel toxin alpha-KTx 6.17 OS=Opisthacanthus cayaporum PE=1 SV=2
21 : B8XH37_BUTOS 0.46 0.63 1 35 25 58 35 1 1 59 B8XH37 Putative potassium channel toxin Tx406 OS=Buthus occitanus israelis PE=3 SV=1
22 : KAX1X_MESMA 0.46 0.69 2 36 24 58 35 0 0 58 H2ER22 Potassium channel toxin alpha-KTx Kcug1a OS=Mesobuthus martensii PE=2 SV=1
23 : KAX24_CENNO 0.46 0.60 3 37 4 38 35 0 0 38 Q9TXD1 Potassium channel toxin alpha-KTx 2.4 OS=Centruroides noxius PE=1 SV=1
24 : KA156_TITDI 2AXK 0.44 0.61 1 36 26 61 36 0 0 61 P84777 Potassium channel toxin alpha-KTx 15.6 OS=Tityus discrepans PE=1 SV=2
## ALIGNMENTS 1 - 24
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 2 A H 0 0 144 6 63 H H K Q D
2 3 A T - 0 0 22 10 0 T T T TT T TT T
3 4 A N + 0 0 120 16 28 N N GD NNENNND NNNN
4 5 A I - 0 0 31 23 40 IIKVIII IIV DVIVVVIIVVEV
5 6 A P B +A 31 0A 111 25 57 PRKKRRKPSKSSTSKKKKKRKSKK
6 7 A a - 0 0 24 25 0 CCCCCCCCCCCCCCCCCCCCCCCC
7 8 A R S S+ 0 0 230 25 83 RSSRGSTATSTRATRTTTYQRSFS
8 9 A G >> - 0 0 25 25 63 GGNGGGLGGSGTGTYSSSRGGAAG
9 10 A T H 3> S+ 0 0 54 25 59 TTTTSSSgSSSPgSPPPPNSGSTS
10 11 A S H 34 S+ 0 0 98 24 66 SRSSRRKhKSKKhKAKKKSN.SSS
11 12 A D H X4 S+ 0 0 114 25 56 DEQDDDDRQSDDREDQQQHQSQQK
12 13 A b H 3X S+ 0 0 4 25 0 CCCCCCCCCCCCCCCCCCCCCCCC
13 14 A Y H 3X S+ 0 0 59 25 69 YYYGYYYYYYYAYWHSLLNYAWWV
14 15 A E H <> S+ 0 0 68 25 82 EAKRRSSEDEADESIKKKFGSPTK
15 16 A P H >>S+ 0 0 26 25 54 PPTPPPPPPPPPPVMPPPHHVVPI
16 17 A c I <>S+ 0 0 0 25 0 CCCCCCCCCCCCCCCCCCCCCCCC
17 18 A E I <5S+ 0 0 43 25 65 EQEQQMKEKRRREERKKKEREEKI
18 19 A K I <5S+ 0 0 149 25 43 KKKQKKKKRGKKKKKEDDKERKKD
19 20 A K I <5S+ 0 0 110 25 85 KLVQRQEKKVQEKLVLLLSKKLAR
20 21 A Y I +B 31 0A 94 25 33 MMMIIIIIMMIMIMMMMMVIIMMI
29 30 A N T 3 S- 0 0 64 25 9 NNNNNNNNNNNNNNNNNNRNNNNN
30 31 A R T 3 S+ 0 0 174 25 70 RKGRKKRGKGKRGKGGGGKRGSGG
31 32 A H E < S-AB 5 28A 37 25 69 HAKMTSNRSRSKRKKKKKRVRKKR
32 33 A b E + B 0 27A 0 25 0 CCCCCCCCCCCCCCCCCCCCCCCC
33 34 A N E + B 0 26A 39 25 63 NKIKKKKTKTKKTRTKKKNKVRKT
34 35 A c - 0 0 9 25 0 CCCCCCCCCCCCCCCCCCCCCCCC
35 36 A Y - 0 0 112 24 0 YYYYYYYYYYY YYYYYYYYYYYY
36 37 A N + 0 0 84 10 48 N . S NNNN SNP
37 38 A N + 0 0 132 7 40 N G NNN G
38 39 A d - 0 0 13 3 0 C C
39 40 A P 0 0 114 3 73 P S
40 41 A W 0 0 221 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 2 A 0 0 0 0 0 0 0 0 0 0 0 0 0 50 0 17 17 0 0 17 6 0 0 1.242 41 0.37
2 3 A 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 10 0 0 0.000 0 1.00
3 4 A 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 6 75 13 16 0 0 0.822 27 0.72
4 5 A 39 0 48 0 0 0 0 0 0 0 0 0 0 0 0 4 0 4 0 4 23 0 0 1.129 37 0.60
5 6 A 0 0 0 0 0 0 0 0 0 12 20 4 0 0 16 48 0 0 0 0 25 0 0 1.351 45 0.42
6 7 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 25 0 0 0.000 0 1.00
7 8 A 0 0 0 0 4 0 4 4 8 0 24 28 0 0 24 0 4 0 0 0 25 0 0 1.759 58 0.16
8 9 A 0 4 0 0 0 0 4 52 8 0 16 8 0 0 4 0 0 0 4 0 25 0 0 1.552 51 0.37
9 10 A 0 0 0 0 0 0 0 12 0 20 40 24 0 0 0 0 0 0 4 0 25 1 2 1.414 47 0.40
10 11 A 0 0 0 0 0 0 0 0 4 0 38 0 0 8 13 33 0 0 4 0 24 0 0 1.466 48 0.33
11 12 A 0 0 0 0 0 0 0 0 0 0 8 0 0 4 8 4 32 8 0 36 25 0 0 1.596 53 0.43
12 13 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 25 0 0 0.000 0 1.00
13 14 A 4 8 0 0 0 12 52 4 8 0 4 0 0 4 0 0 0 0 4 0 25 0 0 1.642 54 0.30
14 15 A 0 0 4 0 4 0 0 4 8 4 16 4 0 0 8 20 0 20 0 8 25 0 0 2.187 73 0.17
15 16 A 12 0 4 4 0 0 0 0 0 68 0 4 0 8 0 0 0 0 0 0 25 0 0 1.105 36 0.46
16 17 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 25 0 0 0.000 0 1.00
17 18 A 0 0 4 4 0 0 0 0 0 0 0 0 0 0 20 24 12 36 0 0 25 0 0 1.544 51 0.34
18 19 A 0 0 0 0 0 0 0 4 0 0 0 0 0 0 8 64 4 8 0 12 25 0 0 1.202 40 0.56
19 20 A 12 24 0 0 0 0 0 0 4 0 4 0 0 0 8 28 12 8 0 0 25 0 0 1.869 62 0.14
20 21 A 4 0 8 0 4 0 32 0 0 0 0 44 0 0 0 8 0 0 0 0 25 0 0 1.387 46 0.20
21 22 A 0 0 0 0 0 0 4 72 0 0 0 0 8 0 0 0 0 0 16 0 25 0 3 0.861 28 0.54
22 23 A 8 0 0 0 0 0 0 0 0 0 8 12 48 8 16 0 0 0 0 0 25 0 0 1.506 50 0.25
23 24 A 0 16 0 4 0 0 4 0 36 28 4 0 0 0 4 0 4 0 0 0 25 0 0 1.661 55 0.22
24 25 A 0 0 0 0 0 0 4 20 8 8 0 0 0 4 20 0 4 4 28 0 25 0 0 1.919 64 0.19
25 26 A 0 0 0 0 0 0 0 32 48 0 12 0 0 8 0 0 0 0 0 0 25 0 0 1.173 39 0.49
26 27 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 25 0 0 0.000 0 1.00
27 28 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 25 0 0 0.000 0 1.00
28 29 A 4 0 40 56 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 25 0 0 0.820 27 0.67
29 30 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 96 0 25 0 0 0.168 5 0.91
30 31 A 0 0 0 0 0 0 0 44 0 0 4 0 0 0 24 28 0 0 0 0 25 0 0 1.189 39 0.30
31 32 A 4 0 0 4 0 0 0 0 4 0 12 4 0 8 24 36 0 0 4 0 25 0 0 1.811 60 0.31
32 33 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 25 0 0 0.000 0 1.00
33 34 A 4 0 4 0 0 0 0 0 0 0 0 20 0 0 8 52 0 0 12 0 25 0 0 1.376 45 0.37
34 35 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 25 0 0 0.000 0 1.00
35 36 A 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 24 1 0 0.000 0 1.00
36 37 A 0 0 0 0 0 0 0 0 0 10 20 0 0 0 0 0 0 0 70 0 10 0 0 0.802 26 0.52
37 38 A 0 0 0 0 0 0 0 29 0 0 0 0 0 0 0 0 0 0 71 0 7 0 0 0.598 19 0.60
38 39 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
39 40 A 0 0 0 0 0 0 0 0 0 67 33 0 0 0 0 0 0 0 0 0 3 0 0 0.637 21 0.27
40 41 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
8 6 29 1 gVh
13 8 29 1 gVh
16 20 23 1 gSs
17 20 23 1 gPh
18 20 23 1 gPh
//