Complet list of 2pta hssp file
Complete list of 2pta.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 2PTA
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 2014-05-24
HEADER NEUROTOXIN 26-NOV-96 2PTA
COMPND MOL_ID: 1; MOLECULE: PANDINUS TOXIN K-ALPHA; CHAIN: A; FRAGMENT: COMPL
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: PANDINUS IMPERATOR; ORGANISM_COMMON: E
AUTHOR T.C.TENENHOLZ,R.S.ROGOWSKI,J.H.COLLINS,M.P.BLAUSTEIN, D.J.WEBER
DBREF 2PTA A 4 38 UNP P55927 SCKA_PANIM 13 47
SEQLENGTH 35
NCHAIN 1 chain(s) in 2PTA data set
NALIGN 41
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 : KAX71_PANIM 2PTA 1.00 1.00 1 35 13 47 35 0 0 47 P55927 Potassium channel toxin alpha-KTx 7.1 (Fragment) OS=Pandinus imperator GN=PTX-1 PE=1 SV=2
2 : KAX72_PANIM 1C49 0.97 0.97 1 35 1 35 35 0 0 35 P55928 Potassium channel toxin alpha-KTx 7.2 OS=Pandinus imperator PE=1 SV=1
3 : I6NWV2_HETLA 0.68 0.79 1 34 26 59 34 0 0 61 I6NWV2 Kv1.3 potassium channel blocker (Precursor) OS=Heterometrus laoticus GN=Tx3 PE=3 SV=1
4 : I6NXS5_HETLA 0.67 0.80 3 32 2 31 30 0 0 35 I6NXS5 Kv1.3 potassium channel blocker (Fragment) OS=Heterometrus laoticus GN=Tx2 PE=2 SV=1
5 : KAX63_HETSP 1WPD 0.67 0.77 3 32 2 31 30 0 0 34 P59867 Potassium channel toxin alpha-KTx 6.3 OS=Heterometrus spinifer PE=1 SV=1
6 : KAX6F_HEMLE 0.67 0.85 2 34 1 33 33 0 0 35 P85528 Potassium channel toxin alpha-KTx 6.15 OS=Hemiscorpius lepturus PE=1 SV=1
7 : KAX62_SCOMA 1WPD 0.61 0.88 2 34 1 33 33 0 0 34 P80719 Potassium channel toxin alpha-KTx 6.2 OS=Scorpio maurus palmatus PE=1 SV=1
8 : KAX27_CENLL 0.59 0.69 2 32 5 36 32 1 1 36 P45630 Potassium channel toxin alpha-KTx 2.7 (Fragment) OS=Centruroides limpidus limpidus PE=1 SV=1
9 : KAX6A_OPICA 0.58 0.79 2 34 26 58 33 0 0 60 Q6XLL5 Potassium channel toxin alpha-KTx 6.10 OS=Opistophthalmus carinatus PE=2 SV=1
10 : KAX26_CENLM 0.57 0.70 2 31 5 34 30 0 0 34 P59849 Potassium channel toxin alpha-KTx 2.6 (Fragment) OS=Centruroides limbatus PE=1 SV=1
11 : KAX1A_PARTR 0.56 0.76 2 35 4 37 34 0 0 37 P83112 Potassium channel toxin alpha-KTx 1.10 OS=Parabuthus transvaalicus PE=1 SV=1
12 : KAX2C_CENEL 0.56 0.66 2 32 5 36 32 1 1 39 P0C165 Potassium channel toxin alpha-KTx 2.12 OS=Centruroides elegans PE=1 SV=1
13 : KAX19_CENLM 0.55 0.74 2 32 5 35 31 0 0 36 P59848 Potassium channel toxin alpha-KTx 1.9 (Fragment) OS=Centruroides limbatus PE=1 SV=1
14 : KAX2B_CENEL 0.55 0.67 2 33 5 37 33 1 1 39 P0C164 Potassium channel toxin alpha-KTx 2.11 OS=Centruroides elegans PE=1 SV=1
15 : KAX66_OPICA 0.55 0.74 2 32 27 57 31 0 0 61 Q6XLL9 Potassium channel toxin alpha-KTx 6.6 OS=Opistophthalmus carinatus PE=2 SV=1
16 : KAX67_OPICA 0.55 0.74 2 32 27 57 31 0 0 61 Q6XLL8 Potassium channel toxin alpha-KTx 6.7 OS=Opistophthalmus carinatus PE=2 SV=1
17 : KAX68_OPICA 0.55 0.74 2 32 27 57 31 0 0 61 Q6XLL7 Potassium channel toxin alpha-KTx 6.8 OS=Opistophthalmus carinatus PE=2 SV=1
18 : KAX69_OPICA 0.55 0.76 2 34 27 59 33 0 0 61 Q6XLL6 Potassium channel toxin alpha-KTx 6.9 OS=Opistophthalmus carinatus PE=2 SV=1
19 : KAX6D_HETSP 1V56 0.55 0.82 2 34 1 33 33 0 0 34 P84094 Potassium channel toxin alpha-KTx 6.13 OS=Heterometrus spinifer PE=1 SV=1
20 : KAX6H_OPICY 0.55 0.73 2 34 1 33 33 0 0 34 P86116 Potassium channel toxin alpha-KTx 6.17 OS=Opisthacanthus cayaporum PE=1 SV=2
21 : KAX22_CENMA 1MTX 0.54 0.71 2 35 5 39 35 1 1 39 P40755 Potassium channel toxin alpha-KTx 2.2 OS=Centruroides margaritatus PE=1 SV=1
22 : KAX25_CENLM 1HLY 0.54 0.71 2 35 5 39 35 1 1 39 P59847 Potassium channel toxin alpha-KTx 2.5 OS=Centruroides limbatus PE=1 SV=1
23 : A0RZD1_MESMA 0.53 0.74 1 34 24 57 34 0 0 57 A0RZD1 Potassium-channel toxin protein OS=Mesobuthus martensii GN=TX1 PE=3 SV=1
24 : KAX15_MESMA 1BIG 0.53 0.74 1 34 24 57 34 0 0 57 Q9NII6 Potassium channel toxin alpha-KTx 1.5 OS=Mesobuthus martensii PE=1 SV=1
25 : KAX43_TITDI 0.53 0.69 2 33 5 36 32 0 0 37 P59925 Potassium channel toxin alpha-KTx 4.3 OS=Tityus discrepans PE=1 SV=1
26 : KAX64_PANIM 1N8M 0.53 0.76 1 34 3 36 34 0 0 38 P58498 Potassium channel toxin alpha-KTx 6.4 OS=Pandinus imperator PE=1 SV=1
27 : V9LLY8_MESMA 0.53 0.74 1 34 24 57 34 0 0 57 V9LLY8 Toxin BmTX4 OS=Mesobuthus martensii PE=3 SV=1
28 : KAX6C_ANUPH 0.52 0.71 4 34 4 33 31 1 1 35 P0C166 Potassium channel toxin alpha-KTx 6.12 OS=Anuroctonus phaiodactylus PE=1 SV=1
29 : KAX21_CENNO 1SXM 0.51 0.63 2 35 5 39 35 1 1 39 P08815 Potassium channel toxin alpha-KTx 2.1 OS=Centruroides noxius PE=1 SV=3
30 : KAX28_CENEL 0.51 0.63 2 35 5 39 35 1 1 39 P0C161 Potassium channel toxin alpha-KTx 2.8 OS=Centruroides elegans PE=1 SV=1
31 : KAX29_CENEL 0.51 0.63 2 35 5 39 35 1 1 39 P0C162 Potassium channel toxin alpha-KTx 2.9 OS=Centruroides elegans PE=1 SV=1
32 : KAX1F_MESMA 0.50 0.74 1 34 24 57 34 0 0 57 H2ER23 Potassium channel toxin alpha-KTx 1.15 OS=Mesobuthus martensii PE=2 SV=1
33 : KA231_VAEMS 2K9O 0.48 0.70 1 33 3 34 33 1 1 36 P0DJ31 Potassium channel toxin alpha-KTx 23.1 OS=Vaejovis mexicanus smithi PE=1 SV=1
34 : KA232_VAEMS 0.48 0.73 1 33 3 34 33 1 1 35 P0DJ32 Potassium channel toxin alpha-KTx 23.2 OS=Vaejovis mexicanus smithi PE=1 SV=1
35 : KA159_LYCMC 0.47 0.59 3 34 29 60 32 0 0 60 D9U2A8 Potassium channel toxin alpha-KTx 15.9 OS=Lychas mucronatus PE=2 SV=1
36 : KAX16_MESMA 2BMT 0.47 0.68 1 34 25 58 34 0 0 58 Q9NII5 Potassium channel toxin alpha-KTx 1.6 OS=Mesobuthus martensii PE=1 SV=1
37 : KAX24_CENNO 0.47 0.56 3 34 6 37 32 0 0 38 Q9TXD1 Potassium channel toxin alpha-KTx 2.4 OS=Centruroides noxius PE=1 SV=1
38 : KAX65_PANIM 1QKY 0.47 0.71 1 34 3 36 34 0 0 38 P58490 Potassium channel toxin alpha-KTx 6.5 OS=Pandinus imperator PE=1 SV=1
39 : KAX6E_HADGE 0.47 0.59 1 32 2 32 32 1 1 36 P84864 Potassium channel toxin alpha-KTx 6.14 OS=Hadrurus gertschi PE=1 SV=1
40 : KAX_BUTOS 0.47 0.62 3 34 29 60 32 0 0 60 B8XH38 Potassium channel toxin-like Tx677 OS=Buthus occitanus israelis PE=2 SV=1
41 : Q1EFP8_MESMA 0.47 0.68 1 34 25 58 34 0 0 58 Q1EFP8 Potassium channel toxin BmKTX2' OS=Mesobuthus martensii PE=3 SV=1
## ALIGNMENTS 1 - 41
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 4 A T 0 0 166 15 68 TTG DD AD DAA N AG N
2 5 A I - 0 0 85 36 23 III IVVIVMVVVIIIIIIVVVVVIV VVVVII V IT V
3 6 A S + 0 0 60 41 50 SSSSSKSKRKRKKKKKKRRRKKKKKRK KKKKSSKSKRSRS
4 7 A a - 0 0 4 42 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
5 8 A T S S+ 0 0 106 42 68 TTTRRTTTSTKTTTRRRSSQTTTTTGTTTTTTVVSSFTINS
6 9 A N S >> S- 0 0 91 42 61 NNGTTLGSGSSSTSTTTGGGSSGGGGAGSSSAGGNAAGSNA
7 10 A P H 3> S+ 0 0 56 42 50 PESPPSSPSPSPSPPPPTSSPPSSSSSPPPPSSSTSTTPSS
8 11 A K H 34 S+ 0 0 159 42 37 KKKKKKKKKKKKKKKKKRRNKKKKKRKQKKKKPKSSSKKSS
9 12 A Q H <> S+ 0 0 124 42 33 QQQDDDDQQQEQEQDDDEDQQQQQQDQHQQQQEEQQQDQEQ
10 13 A b H X S+ 0 0 2 42 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
11 14 A Y H X S+ 0 0 100 42 76 YYYAAYYLYLLLWLAAAYYYLLWWLYWTSLLWPLYWWYTIW
12 15 A P H > S+ 0 0 62 42 71 PPDDDSAPGPVPPLGDDASGPPPPPRPNKKKPPPKPTIEPP
13 16 A H H >X S+ 0 0 69 42 64 HHPPPPPPPAKPPPPPPPPHPPVVAPVFPPPVKKTVPPPHV
14 17 A c H 3X>S+ 0 0 6 42 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
15 18 A K H 3<5S+ 0 0 135 42 42 KKKRRKRKKKKKKKRRRQMRKKKKKQKRKKKNRKEKKRRIK
16 19 A K H <<5S+ 0 0 167 42 66 KKRKKKKEQEQEAEKKKKKEAAQQAKQKEDDQAAKKKYARK
17 20 A E H <5S- 0 0 131 42 82 EEKEEEQIQKAIAIQQQLQKQQMMARMNLLLMQQVLAIKIL
18 21 A T T <5S- 0 0 42 42 80 TTTTTTTYTFTYTYTTTTTTFFFFVTFKYYYFGGVFITGFF
19 22 A G S -A 29 0A 87 42 19 MMMMMIIMMMMMMMMMMMIIMMMMMIMMMMMMMMMMMIMIM
27 30 A N T 3 S- 0 0 138 42 0 NNNNNNNNNNNNNNNNNNNNNNNNNNNNNNNNNNNNNNNNN
28 31 A R T 3 S+ 0 0 180 42 73 RRKRRRKGKGRGKGRRKKKRGGGGGKGRGGGGRKGSGKRRS
29 32 A K E < -A 26 0A 105 42 47 KKSKKNSKVKKKKKTTTASVKKKKKTKKKKKKKKKKKSKKK
30 33 A b E -A 25 0A 37 42 0 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
31 34 A K E -A 24 0A 139 42 36 KKKKKKKKKKKHKKRRRKKKKKRRKKRKKKKRKKIRKKHYR
32 35 A c E -A 23 0A 21 41 0 CCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
33 36 A F S S+ 0 0 121 32 1 FFY YY Y Y Y YYYYYYYYYYFYYYYYYYYYY YY
34 37 A G 0 0 34 28 59 GGG GG G P GGGPPSS GSNNNNS PSNG PS
35 38 A R 0 0 275 9 70 RR R HH NNN
## 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 4 A 0 0 0 0 0 0 0 13 27 0 0 20 0 0 0 0 0 0 13 27 15 0 0 1.564 52 0.31
2 5 A 50 0 44 3 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 36 0 0 0.906 30 0.77
3 6 A 0 0 0 0 0 0 0 0 0 0 29 0 0 0 20 51 0 0 0 0 41 0 0 1.021 34 0.50
4 7 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 42 0 0 0.000 0 1.00
5 8 A 5 0 2 0 2 0 0 2 0 0 14 55 0 0 12 2 2 0 2 0 42 0 0 1.540 51 0.31
6 9 A 0 2 0 0 0 0 0 33 12 0 26 14 0 0 0 0 0 0 12 0 42 0 0 1.591 53 0.39
7 10 A 0 0 0 0 0 0 0 0 0 43 45 10 0 0 0 0 0 2 0 0 42 0 0 1.035 34 0.50
8 11 A 0 0 0 0 0 0 0 0 0 2 12 0 0 0 7 74 2 0 2 0 42 0 0 0.933 31 0.62
9 12 A 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 60 14 0 24 42 0 0 1.017 33 0.67
10 13 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 42 0 0 0.000 0 1.00
11 14 A 0 26 2 0 0 19 31 0 12 2 2 5 0 0 0 0 0 0 0 0 42 0 0 1.695 56 0.23
12 15 A 2 2 2 0 0 0 0 7 5 45 5 2 0 0 2 10 0 2 2 12 42 0 0 1.938 64 0.28
13 16 A 14 0 0 0 2 0 0 0 5 57 0 2 0 12 0 7 0 0 0 0 42 0 0 1.363 45 0.35
14 17 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 42 0 0 0.000 0 1.00
15 18 A 0 0 2 2 0 0 0 0 0 0 0 0 0 0 26 60 5 2 2 0 42 0 0 1.161 38 0.58
16 19 A 0 0 0 0 0 0 2 0 17 0 0 0 0 0 5 43 14 14 0 5 42 0 0 1.597 53 0.33
17 20 A 2 14 12 10 0 0 0 0 10 0 0 0 0 0 2 10 24 14 2 0 42 0 0 2.090 69 0.17
18 21 A 5 0 2 0 24 0 14 7 0 0 0 45 0 0 0 2 0 0 0 0 42 0 0 1.490 49 0.19
19 22 A 0 0 0 0 0 0 0 90 0 0 0 0 10 0 0 0 0 0 0 0 42 4 8 0.314 10 0.83
20 23 A 3 0 0 0 0 0 8 0 0 0 8 8 38 14 5 16 0 0 0 0 37 0 0 1.800 60 0.14
21 24 A 0 5 0 2 2 0 5 0 29 43 0 5 0 0 2 7 0 0 0 0 42 0 0 1.611 53 0.25
22 25 A 0 0 0 0 0 0 2 19 12 0 2 0 0 14 7 0 2 0 40 0 42 0 0 1.669 55 0.30
23 26 A 0 0 0 0 0 0 0 48 45 0 7 0 0 0 0 0 0 0 0 0 42 0 0 0.901 30 0.66
24 27 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 98 0 0 0 0 42 0 0 0.113 3 0.97
25 28 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 42 0 0 0.000 0 1.00
26 29 A 0 0 17 83 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 42 0 0 0.451 15 0.81
27 30 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 42 0 0 0.000 0 1.00
28 31 A 0 0 0 0 0 0 0 38 0 0 5 0 0 0 33 24 0 0 0 0 42 0 0 1.221 40 0.27
29 32 A 5 0 0 0 0 0 0 0 2 0 10 10 0 0 0 71 0 0 2 0 42 0 0 1.011 33 0.52
30 33 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 42 0 0 0.000 0 1.00
31 34 A 0 0 2 0 0 0 2 0 0 0 0 0 0 5 21 69 0 0 0 0 42 0 0 0.909 30 0.63
32 35 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 41 0 0 0.000 0 1.00
33 36 A 0 0 0 0 13 0 88 0 0 0 0 0 0 0 0 0 0 0 0 0 32 0 0 0.377 12 0.98
34 37 A 0 0 0 0 0 0 0 43 0 18 21 0 0 0 0 0 0 0 18 0 28 0 0 1.308 43 0.40
35 38 A 0 0 0 0 0 0 0 0 0 0 0 0 0 22 44 0 0 0 33 0 9 0 0 1.061 35 0.30
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
8 19 23 1 gRh
12 19 23 1 gRh
14 19 23 1 gIh
21 19 23 1 gQs
22 19 23 1 gIr
29 19 23 1 gSs
30 19 23 1 gPh
31 19 23 1 gPh
//