Complet list of 1lup hssp file
Complete list of 1lup.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1LUP
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 23-MAY-02 1LUP
COMPND MOL_ID: 1; MOLECULE: GSMTX2; CHAIN: A
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: GRAMMOSTOLA ROSEA; ORGANISM_TAXID: 432
AUTHOR R.E.OSWALD,T.M.SUCHYNA,R.MCFEETERS,P.GOTTLIEB,F.SACHS
DBREF 1LUP A 1 31 PDB 1LUP 1LUP 1 31
SEQLENGTH 31
NCHAIN 1 chain(s) in 1LUP data set
NALIGN 22
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 : MTX2_GRARO 1LUP 1.00 1.00 1 31 1 31 31 0 0 31 P60273 Kappa-theraphotoxin-Gr2a OS=Grammostola rosea PE=1 SV=1
2 : TXP2_PARSR 1.00 1.00 1 31 1 31 31 0 0 31 P61231 Kappa-theraphotoxin-Ps1b OS=Paraphysa scrofa PE=1 SV=1
3 : M5AXP5_GRARO 0.93 0.96 1 28 51 78 28 0 0 105 M5AXP5 GTx2-2 OS=Grammostola rosea PE=4 SV=1
4 : AF2_GRARO 0.90 0.97 1 30 51 80 30 0 0 81 P61409 Kappa-theraphotoxin-Gr2c OS=Grammostola rosea PE=1 SV=2
5 : M5AWU7_GRARO 0.90 0.97 1 30 51 80 30 0 0 81 M5AWU7 GTx2-1-2 OS=Grammostola rosea PE=4 SV=1
6 : M5AYD2_GRARO 0.90 0.97 1 30 51 80 30 0 0 81 M5AYD2 GTx2-1-1 OS=Grammostola rosea PE=4 SV=1
7 : TXP1_PARSR 1V7F 0.90 0.93 1 29 1 29 29 0 0 29 P61230 Kappa-theraphotoxin-Ps1a OS=Paraphysa scrofa PE=1 SV=1
8 : VSTX2_GRARO 0.90 0.97 1 30 1 30 30 0 0 32 P0C2P4 Kappa-theraphotoxin-Gr2b OS=Grammostola rosea PE=1 SV=1
9 : JZT45_CHIGU 0.88 0.88 1 26 54 79 26 0 0 83 P0C5X7 Kappa-theraphotoxin-Cj2a OS=Chilobrachys guangxiensis PE=1 SV=2
10 : JZT46_CHIGU 0.88 0.88 1 26 54 79 26 0 0 83 B1P1B6 Kappa-theraphotoxin-Cj2b OS=Chilobrachys guangxiensis PE=2 SV=1
11 : TXPR2_THRPR 0.83 0.93 1 29 1 29 29 0 0 30 P83476 Beta/omega-theraphotoxin-Tp2a OS=Thrixopelma pruriens PE=1 SV=1
12 : AF1_GRARO 0.76 0.93 1 29 1 29 29 0 0 29 P61408 Beta-theraphotoxin-Gr1b OS=Grammostola rosea PE=1 SV=1
13 : H7CEK4_GRARO 0.76 0.90 1 29 51 79 29 0 0 80 H7CEK4 GTx2-3 OS=Grammostola rosea GN=GTx1-19 PE=4 SV=1
14 : H7CEL0_GRARO 0.76 0.93 1 29 51 79 29 0 0 80 H7CEL0 GsAFI OS=Grammostola rosea GN=GTx2-5 PE=4 SV=1
15 : JZTX5_CHIGU 0.76 0.86 1 29 54 82 29 0 0 83 Q2PAY4 Beta-theraphotoxin-Cj2a OS=Chilobrachys guangxiensis PE=1 SV=1
16 : H7CEK2_GRARO 0.72 0.90 1 29 51 79 29 0 0 80 H7CEK2 Beta-theraphotoxin OS=Grammostola rosea GN=GrTx1-1 PE=4 SV=1
17 : H7CEK3_GRARO 0.72 0.90 1 29 51 79 29 0 0 80 H7CEK3 Beta-theraphotoxin OS=Grammostola rosea GN=GrTx1-2 PE=4 SV=1
18 : TX1_GRARO 0.72 0.90 1 29 1 29 29 0 0 29 P85117 Beta-theraphotoxin-Gr1a OS=Grammostola rosea PE=1 SV=1
19 : TX4_SELPU 0.72 0.86 1 29 51 79 29 0 0 80 P0DM68 Toxin OAIP 4 OS=Selenotypus plumipes PE=1 SV=1
20 : PTX2_PTEMU 0.69 0.86 1 29 1 29 29 0 0 29 B3EWN1 Beta/kappa-theraphotoxin-Pm2a OS=Pterinochilus murinus PE=1 SV=1
21 : TXHP2_HETVE 1EMX 0.60 0.64 2 26 3 27 25 0 0 30 P58426 Kappa-sparatoxin-Hv1b OS=Heteropoda venatoria PE=1 SV=1
22 : TXU2_HETVE 0.50 0.57 2 29 3 30 28 0 0 30 P61792 Kappa-sparatoxin-Hv1d OS=Heteropoda venatoria PE=1 SV=1
## ALIGNMENTS 1 - 22
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A Y 0 0 170 21 0 YYYYYYYYYYYYYYYYYYYY
2 2 A a + 0 0 52 23 0 CCCCCCCCCCCCCCCCCCCCCC
3 3 A Q - 0 0 89 23 30 QQQQQQQQQQQQQQQQQQQQGG
4 4 A K S S- 0 0 170 23 28 KKKKKKKKKKKKKKKKKKKEKG
5 5 A W S S+ 0 0 78 23 23 WWWWWWWWWWWWWWWWWWWFLL
6 6 A M S S+ 0 0 88 23 23 MMMMMMMMMMMLMLMMMMMLFF
7 7 A W - 0 0 72 23 28 WWWWWWWWWWWWWWWWWWWWSS
8 8 A T B -A 24 0A 88 23 25 TTTTTTTTTTTTTTTTTTTTGG
9 9 A b + 0 0 28 23 0 CCCCCCCCCCCCCCCCCCCCCC
10 10 A D - 0 0 105 23 0 DDDDDDDDDDDDDDDDDDDDDD
11 11 A E S S+ 0 0 175 23 58 EEEEEESESSSSSSSSSSAETS
12 12 A E S S+ 0 0 144 23 49 EEEEEEAEEEEEEEKKKKEENN
13 13 A R - 0 0 42 23 42 RRRRRRRRRRRRRRRRRRRRAA
14 14 A K + 0 0 101 23 38 KKKKKKKKKKKKKKAKKKKKDD
15 15 A c - 0 0 7 23 0 CCCCCCCCCCCCCCCCCCCCCC
16 16 A a - 0 0 57 23 0 CCCCCCCCCCCCCCCCCCCCCC
17 17 A E S S+ 0 0 200 23 7 EEEEEEEEEEEEEEEEEEEGEE
18 18 A G S S+ 0 0 49 23 30 GGGGGGGGGGGDDDGDDDDDGG
19 19 A L S S- 0 0 39 23 44 LLLLLLLLYYMMMMLMMMMMYY
20 20 A V B -B 26 0B 57 23 22 VVVVVVVVVVVVVVRVVVAVVV
21 21 A b + 0 0 51 23 0 CCCCCCCCCCCCCCCCCCCCCC
22 22 A R S S- 0 0 160 23 46 RRRRRRRREERRERKQQQERRR
23 23 A L S S+ 0 0 127 23 0 LLLLLLLLLLLLLLLLLLLLLL
24 24 A W B S-A 8 0A 130 23 0 WWWWWWWWWWWWWWWWWWWWWW
25 25 A c - 0 0 0 23 0 CCCCCCCCCCCCCCCCCCCCCC
26 26 A K B -B 20 0B 83 23 5 KKKKKKKKKKKKKKRKKKKKKK
27 27 A R - 0 0 166 20 44 RRKKKKKK KKKKKKKKKK Y
28 28 A I + 0 0 120 20 69 IIKKKKIK KRRRIRRRRR K
29 29 A I - 0 0 127 19 30 II IIIII LLLLILLLLL L
30 30 A N 0 0 169 7 66 NN EEE E
31 31 A M 0 0 236 3 0 MM
## 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 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 21 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 23 0 0 0.000 0 1.00
3 3 A 0 0 0 0 0 0 0 9 0 0 0 0 0 0 0 0 91 0 0 0 23 0 0 0.295 9 0.70
4 4 A 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 91 0 4 0 0 23 0 0 0.356 11 0.72
5 5 A 0 9 0 0 4 87 0 0 0 0 0 0 0 0 0 0 0 0 0 0 23 0 0 0.470 15 0.76
6 6 A 0 13 0 78 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 23 0 0 0.670 22 0.76
7 7 A 0 0 0 0 0 91 0 0 0 0 9 0 0 0 0 0 0 0 0 0 23 0 0 0.295 9 0.72
8 8 A 0 0 0 0 0 0 0 9 0 0 0 91 0 0 0 0 0 0 0 0 23 0 0 0.295 9 0.74
9 9 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 23 0 0 0.000 0 1.00
10 10 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 23 0 0 0.000 0 1.00
11 11 A 0 0 0 0 0 0 0 0 4 0 52 4 0 0 0 0 0 39 0 0 23 0 0 0.979 32 0.41
12 12 A 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 17 0 70 9 0 23 0 0 0.905 30 0.51
13 13 A 0 0 0 0 0 0 0 0 9 0 0 0 0 0 91 0 0 0 0 0 23 0 0 0.295 9 0.58
14 14 A 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 87 0 0 0 9 23 0 0 0.470 15 0.62
15 15 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 23 0 0 0.000 0 1.00
16 16 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 23 0 0 0.000 0 1.00
17 17 A 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 96 0 0 23 0 0 0.179 5 0.92
18 18 A 0 0 0 0 0 0 0 65 0 0 0 0 0 0 0 0 0 0 0 35 23 0 0 0.646 21 0.69
19 19 A 0 43 0 39 0 0 17 0 0 0 0 0 0 0 0 0 0 0 0 0 23 0 0 1.033 34 0.56
20 20 A 91 0 0 0 0 0 0 0 4 0 0 0 0 0 4 0 0 0 0 0 23 0 0 0.356 11 0.78
21 21 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 23 0 0 0.000 0 1.00
22 22 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 65 4 13 17 0 0 23 0 0 0.985 32 0.54
23 23 A 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 23 0 0 0.000 0 1.00
24 24 A 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 23 0 0 0.000 0 1.00
25 25 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 23 0 0 0.000 0 1.00
26 26 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 96 0 0 0 0 23 0 0 0.179 5 0.94
27 27 A 0 0 0 0 0 0 5 0 0 0 0 0 0 0 15 80 0 0 0 0 20 0 0 0.613 20 0.56
28 28 A 0 0 25 0 0 0 0 0 0 0 0 0 0 0 40 35 0 0 0 0 20 0 0 1.081 36 0.31
29 29 A 0 53 47 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 19 0 0 0.692 23 0.69
30 30 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 57 43 0 7 0 0 0.683 22 0.33
31 31 A 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
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