Complet list of 1wt7 hssp file
Complete list of 1wt7.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1WT7
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 16-NOV-04 1WT7
COMPND MOL_ID: 1; MOLECULE: BUTX-MTX; CHAIN: A; SYNONYM: BUTANTOXIN-MAUROTOXI
SOURCE MOL_ID: 1; SYNTHETIC: YES; OTHER_DETAILS: BUTANTOXIN-MAUROTOXIN CHIMER
AUTHOR S.M'BAREK,B.CHAGOT,N.ANDREOTTI,V.VISAN,P.MANSUELLE, S.GRISSMER,M.MARRA
DBREF 1WT7 A 1 9 UNP P59936 SCK4_TITSE 1 9
DBREF 1WT7 A 10 41 UNP P80719 SCXM_SCOMA 3 34
SEQLENGTH 41
NCHAIN 1 chain(s) in 1WT7 data set
NALIGN 35
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 : KAX62_SCOMA 1WPD 0.94 1.00 8 41 1 34 34 0 0 34 P80719 Potassium channel toxin alpha-KTx 6.2 OS=Scorpio maurus palmatus PE=1 SV=1
2 : KAX6D_HETSP 1V56 0.82 0.94 8 41 1 34 34 0 0 34 P84094 Potassium channel toxin alpha-KTx 6.13 OS=Heterometrus spinifer PE=1 SV=1
3 : I6NWV2_HETLA 0.81 0.97 10 41 29 60 32 0 0 61 I6NWV2 Kv1.3 potassium channel blocker (Precursor) OS=Heterometrus laoticus GN=Tx3 PE=3 SV=1
4 : KAX64_PANIM 1N8M 0.76 0.91 8 41 4 37 34 0 0 38 P58498 Potassium channel toxin alpha-KTx 6.4 OS=Pandinus imperator PE=1 SV=1
5 : KAX65_PANIM 1QKY 0.74 0.85 8 41 4 37 34 0 0 38 P58490 Potassium channel toxin alpha-KTx 6.5 OS=Pandinus imperator PE=1 SV=1
6 : KAX6F_HEMLE 0.74 0.91 8 41 1 34 34 0 0 35 P85528 Potassium channel toxin alpha-KTx 6.15 OS=Hemiscorpius lepturus PE=1 SV=1
7 : KAX69_OPICA 0.72 0.94 10 41 29 60 32 0 0 61 Q6XLL6 Potassium channel toxin alpha-KTx 6.9 OS=Opistophthalmus carinatus PE=2 SV=1
8 : KAX6A_OPICA 0.72 0.94 10 41 28 59 32 0 0 60 Q6XLL5 Potassium channel toxin alpha-KTx 6.10 OS=Opistophthalmus carinatus PE=2 SV=1
9 : KAX68_OPICA 0.66 0.81 10 41 29 60 32 0 0 61 Q6XLL7 Potassium channel toxin alpha-KTx 6.8 OS=Opistophthalmus carinatus PE=2 SV=1
10 : KAX61_PANIM 1WZ5 0.65 0.82 8 41 2 35 34 0 0 35 Q10726 Potassium channel toxin alpha-KTx 6.1 OS=Pandinus imperator PE=1 SV=1
11 : KAX6H_OPICY 0.62 0.82 8 41 1 34 34 0 0 34 P86116 Potassium channel toxin alpha-KTx 6.17 OS=Opisthacanthus cayaporum PE=1 SV=2
12 : KA121_TITSE 1C56 0.59 0.82 1 39 1 39 39 0 0 40 P59936 Potassium channel toxin alpha-KTx 12.1 OS=Tityus serrulatus PE=1 SV=2
13 : KA122_TITTR 0.59 0.82 1 39 1 39 39 0 0 40 P0C168 Potassium channel toxin alpha-KTx 12.2 OS=Tityus trivittatus PE=1 SV=1
14 : KA124_TITST 0.59 0.82 1 39 1 39 39 0 0 40 P0C8L1 Potassium channel toxin alpha-KTx 12.4 OS=Tityus stigmurus PE=1 SV=1
15 : KAX66_OPICA 0.59 0.84 10 41 29 60 32 0 0 61 Q6XLL9 Potassium channel toxin alpha-KTx 6.6 OS=Opistophthalmus carinatus PE=2 SV=1
16 : KAX67_OPICA 0.59 0.81 10 41 29 60 32 0 0 61 Q6XLL8 Potassium channel toxin alpha-KTx 6.7 OS=Opistophthalmus carinatus PE=2 SV=1
17 : I6NXS5_HETLA 0.58 0.79 9 41 2 34 33 0 0 35 I6NXS5 Kv1.3 potassium channel blocker (Fragment) OS=Heterometrus laoticus GN=Tx2 PE=2 SV=1
18 : KAX63_HETSP 1WPD 0.58 0.76 9 41 2 34 33 0 0 34 P59867 Potassium channel toxin alpha-KTx 6.3 OS=Heterometrus spinifer PE=1 SV=1
19 : KAX72_PANIM 1C49 0.58 0.85 8 40 2 34 33 0 0 35 P55928 Potassium channel toxin alpha-KTx 7.2 OS=Pandinus imperator PE=1 SV=1
20 : KA123_TITCO 0.56 0.79 1 39 1 39 39 0 0 40 P0C185 Potassium channel toxin alpha-KTx 12.3 OS=Tityus costatus PE=1 SV=1
21 : KA231_VAEMS 2K9O 0.53 0.74 8 41 4 36 34 1 1 36 P0DJ31 Potassium channel toxin alpha-KTx 23.1 OS=Vaejovis mexicanus smithi PE=1 SV=1
22 : KA232_VAEMS 0.53 0.72 8 39 4 34 32 1 1 35 P0DJ32 Potassium channel toxin alpha-KTx 23.2 OS=Vaejovis mexicanus smithi PE=1 SV=1
23 : KAX19_CENLM 0.52 0.76 6 38 3 35 33 0 0 36 P59848 Potassium channel toxin alpha-KTx 1.9 (Fragment) OS=Centruroides limbatus PE=1 SV=1
24 : KAX6B_OPIMA 1WMT 0.52 0.70 10 41 28 60 33 1 1 63 P0C194 Potassium channel toxin alpha-KTx 6.11 OS=Opisthacanthus madagascariensis PE=1 SV=1
25 : A0RZD1_MESMA 0.50 0.76 7 40 24 57 34 0 0 57 A0RZD1 Potassium-channel toxin protein OS=Mesobuthus martensii GN=TX1 PE=3 SV=1
26 : KAX15_MESMA 1BIG 0.50 0.76 7 40 24 57 34 0 0 57 Q9NII6 Potassium channel toxin alpha-KTx 1.5 OS=Mesobuthus martensii PE=1 SV=1
27 : KAX1A_PARTR 0.50 0.76 6 39 2 35 34 0 0 37 P83112 Potassium channel toxin alpha-KTx 1.10 OS=Parabuthus transvaalicus PE=1 SV=1
28 : KAX1B_CENNO 0.50 0.68 6 39 3 36 34 0 0 37 P0C182 Potassium channel toxin alpha-KTx 1.11 OS=Centruroides noxius PE=1 SV=1
29 : H2CYS1_PANCV 0.49 0.66 6 40 27 61 35 0 0 63 H2CYS1 Alpha-KTx-like peptide OS=Pandinus cavimanus PE=3 SV=1
30 : KA166_BUTOS 0.48 0.76 7 39 26 58 33 0 0 58 B8XH42 Potassium channel toxin alpha-KTx 16.6 OS=Buthus occitanus israelis PE=2 SV=1
31 : KAX1F_MESMA 0.47 0.74 7 40 24 57 34 0 0 57 H2ER23 Potassium channel toxin alpha-KTx 1.15 OS=Mesobuthus martensii PE=2 SV=1
32 : V9LLY8_MESMA 0.47 0.76 7 40 24 57 34 0 0 57 V9LLY8 Toxin BmTX4 OS=Mesobuthus martensii PE=3 SV=1
33 : KAX25_CENLM 1HLY 0.46 0.70 4 39 1 37 37 1 1 39 P59847 Potassium channel toxin alpha-KTx 2.5 OS=Centruroides limbatus PE=1 SV=1
34 : KA125_LYCMC 0.45 0.63 2 39 22 59 38 0 0 60 P0CH12 Potassium channel toxin alpha-KTx 12.5 OS=Lychas mucronatus PE=2 SV=1
35 : KAX22_CENMA 1MTX 0.43 0.73 4 39 1 37 37 1 1 39 P40755 Potassium channel toxin alpha-KTx 2.2 OS=Centruroides margaritatus PE=1 SV=1
## ALIGNMENTS 1 - 35
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A W 0 0 235 5 0 WWW W
2 2 A a - 0 0 22 6 0 CCC C C
3 3 A S S S+ 0 0 107 6 62 SSS S Q
4 4 A T S S+ 0 0 124 8 28 TTT T TKT
5 5 A a + 0 0 47 8 79 CCC C VHI
6 6 A L S S- 0 0 175 12 45 LLL L I VII ITI
7 7 A D + 0 0 91 17 13 DDD D D DDDDNDDDDDN
8 8 A L > + 0 0 30 27 36 VI III VILLL ILIIV VVMVHVVVVIV
9 9 A A T 3 S- 0 0 32 29 67 SR RRK KRAAA SSSESSK KKRDRRKKKKK
10 10 A b T 3 S+ 0 0 75 36 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
11 11 A T S < S- 0 0 89 36 78 TSTGTTSSRRQGGGRRRRTGVVTRTTKTGYTTTST
12 12 A G > - 0 0 25 36 56 GGGGGLGGTGGAAATTTTNAGGTGGGSVGAAASSS
13 13 A S H > S+ 0 0 38 36 42 SSSSTSTSPTSSSSPPPPESSSSTSSSSSSSSPSP
14 14 A K H > S+ 0 0 177 36 42 KRKRKKRKKSNRRRKKKKKRPKKSKKKKSRKKKSK
15 15 A D H >4 S+ 0 0 87 36 37 DDQDDDEQDDQEEEDDDDQEEEEDQQEEEEQQQSQ
16 16 A c H 3X S+ 0 0 2 36 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
17 17 A Y H 3X S+ 0 0 88 36 69 YYYYYYYYAGYYYYAAAAYYPLWYWWLWRWWWLYL
18 18 A A H S+ 0 0 21 36 38 PPPPPPPPPPHPPPPPPPHPKPPPVVKPPPVVPPP
20 20 A d H X>S+ 0 0 6 36 7 CCCCCCCCCCCCCCCCCCCCCKCCCCCCCCCCCCC
21 21 A R H X5S+ 0 0 134 36 74 RMKQRKQKRQRFFFRRRRKFRCKEKKKKARNKKRK
22 22 A K H <5S+ 0 0 127 36 63 KKRKYKKQKQEKKKKKKKKKAKAKQQQARRQQAGA
23 23 A Q H <5S+ 0 0 95 36 77 QQKRIELQQQKAAAQQEEEAQAAKMMAAAVMMQVQ
24 24 A T H <5S- 0 0 50 35 66 TTTTTTTTTTTFFFTTTTTF.QTYFFTFTTFFFTF
25 25 A G S < +A 35 0A 71 36 30 IIMIIIMMMIIMMMMMMMMMMMMMMMMMIQMMMMM
33 33 A N T 3 S- 0 0 149 36 4 NNNNNNNNNNNNNNNNNNNNNNNNNNNGNNNNNNN
34 34 A K T 3 S+ 0 0 137 36 67 KKKKKRKKKRRNNNRRRRRNRKKRGGRKGNGGGGG
35 35 A S E < S-A 32 0A 46 36 67 SSSTSNAVTMVKKKTTKKKKKKKHKKKKSQKKKRK
36 36 A c E -A 31 0A 31 36 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
37 37 A K E -A 30 0A 113 36 37 KKKKKKKKRKKRRRRRKKKRKKKNRRKKVRRRKTK
38 38 A d E -A 29 0A 33 36 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
39 39 A Y - 0 0 117 35 27 YYYYYYYYHYYYYYNNNNFYYY YYYYYYYYYYYY
40 40 A G 0 0 53 24 73 GGGGGGGGRGG RRRRG Y nSS G SS
41 41 A e 0 0 119 18 0 CCCCCCCCCCC CCCC C c
## 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 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 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 6 0 0 0.000 0 1.00
3 3 A 0 0 0 0 0 0 0 0 0 0 83 0 0 0 0 0 17 0 0 0 6 0 0 0.451 15 0.38
4 4 A 0 0 0 0 0 0 0 0 0 0 0 88 0 0 0 13 0 0 0 0 8 0 0 0.377 12 0.72
5 5 A 13 0 13 0 0 0 0 0 0 0 0 0 63 13 0 0 0 0 0 0 8 0 0 1.074 35 0.20
6 6 A 8 42 42 0 0 0 0 0 0 0 0 8 0 0 0 0 0 0 0 0 12 0 0 1.144 38 0.55
7 7 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 12 88 17 0 0 0.362 12 0.86
8 8 A 41 19 33 4 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 27 0 0 1.288 43 0.64
9 9 A 0 0 0 0 0 0 0 0 14 0 21 0 0 0 24 34 0 3 0 3 29 0 0 1.542 51 0.33
10 10 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 36 0 0 0.000 0 1.00
11 11 A 6 0 0 0 0 0 3 17 0 0 11 39 0 0 19 3 3 0 0 0 36 0 0 1.688 56 0.21
12 12 A 3 3 0 0 0 0 0 44 19 0 11 17 0 0 0 0 0 0 3 0 36 0 0 1.520 50 0.44
13 13 A 0 0 0 0 0 0 0 0 0 19 67 11 0 0 0 0 0 3 0 0 36 0 0 0.932 31 0.57
14 14 A 0 0 0 0 0 0 0 0 0 3 11 0 0 0 22 61 0 0 3 0 36 0 0 1.078 35 0.58
15 15 A 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 28 33 0 36 36 0 0 1.189 39 0.63
16 16 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 36 0 0 0.000 0 1.00
17 17 A 0 11 0 0 0 19 47 3 14 3 0 0 0 0 3 0 0 0 0 0 36 1 0 1.490 49 0.31
18 18 A 3 0 3 0 0 0 0 9 11 26 6 0 0 0 6 3 0 9 0 26 35 0 0 1.999 66 0.26
19 19 A 11 0 0 0 0 0 0 0 0 78 0 0 0 6 0 6 0 0 0 0 36 0 0 0.761 25 0.62
20 20 A 0 0 0 0 0 0 0 0 0 0 0 0 97 0 0 3 0 0 0 0 36 0 0 0.127 4 0.92
21 21 A 0 0 0 3 11 0 0 0 3 0 0 0 3 0 33 33 8 3 3 0 36 0 0 1.681 56 0.26
22 22 A 0 0 0 0 0 0 3 3 14 0 0 0 0 0 8 50 19 3 0 0 36 0 0 1.445 48 0.36
23 23 A 6 3 3 11 0 0 0 0 25 0 0 0 0 0 3 8 31 11 0 0 36 1 0 1.863 62 0.23
24 24 A 0 0 0 0 31 0 3 0 0 0 0 63 0 0 0 0 3 0 0 0 35 0 0 0.859 28 0.33
25 25 A 0 0 0 0 0 0 0 97 0 0 0 0 0 0 0 0 0 0 3 0 36 0 0 0.127 4 0.95
26 26 A 3 0 3 0 0 0 6 0 0 0 3 0 53 0 17 14 3 0 0 0 36 0 0 1.469 49 0.20
27 27 A 0 3 0 3 3 0 3 0 22 50 3 3 0 0 3 6 0 0 0 3 36 0 0 1.638 54 0.31
28 28 A 0 0 0 0 0 0 3 0 8 0 6 0 0 25 8 0 3 0 47 0 36 0 0 1.475 49 0.38
29 29 A 0 0 0 0 0 0 0 58 31 0 11 0 0 0 0 0 0 0 0 0 36 0 2 0.921 30 0.65
30 30 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 97 0 0 0 0 36 0 0 0.127 4 0.97
31 31 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 36 0 0 0.000 0 1.00
32 32 A 0 0 25 72 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 36 0 0 0.681 22 0.70
33 33 A 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 97 0 36 0 0 0.127 4 0.96
34 34 A 0 0 0 0 0 0 0 22 0 0 0 0 0 0 31 33 0 0 14 0 36 0 0 1.337 44 0.32
35 35 A 6 0 0 3 0 0 0 0 3 0 17 11 0 3 3 50 3 0 3 0 36 0 0 1.647 54 0.32
36 36 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 36 0 0 0.000 0 1.00
37 37 A 3 0 0 0 0 0 0 0 0 0 0 3 0 0 33 58 0 0 3 0 36 0 0 0.979 32 0.62
38 38 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 36 0 0 0.000 0 1.00
39 39 A 0 0 0 0 3 0 83 0 0 0 0 0 0 3 0 0 0 0 11 0 35 0 0 0.607 20 0.72
40 40 A 0 0 0 0 0 0 4 54 0 0 17 0 0 0 21 0 0 0 4 0 24 0 1 1.222 40 0.27
41 41 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 18 0 0 0.000 0 1.00
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
24 32 59 1 nNc
33 27 27 1 gAk
35 27 27 1 gAk
//