Complet list of 1wqk hssp file
Complete list of 1wqk.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1WQK
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 2014-05-11
HEADER TOXIN 30-SEP-04 1WQK
COMPND MOL_ID: 1; MOLECULE: TOXIN APETX1; CHAIN: A
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: ANTHOPLEURA ELEGANTISSIMA; ORGANISM_CO
AUTHOR B.CHAGOT,S.DIOCHOT,C.PIMENTEL,M.LAZDUNSKI,H.DARBON
DBREF 1WQK A 1 42 UNP P61541 APT1_ANTEL 1 42
SEQLENGTH 42
NCHAIN 1 chain(s) in 1WQK data set
NALIGN 13
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 : APT1_ANTEL 1WQK 1.00 1.00 1 42 1 42 42 0 0 42 P61541 Toxin APETx1 OS=Anthopleura elegantissima PE=1 SV=1
2 : APT3_ANTEL 0.98 0.98 1 42 1 42 42 0 0 42 B3EWF9 Toxin APETx3 OS=Anthopleura elegantissima PE=1 SV=1
3 : TX311_BUNCN 0.76 0.87 1 38 1 38 38 0 0 38 P86461 Toxin Bcg III 31.16 (Fragment) OS=Bunodosoma cangicum PE=1 SV=1
4 : TXBCV_BUNCI 0.67 0.79 1 33 1 33 33 0 0 33 P86470 Toxin BcV (Fragment) OS=Bunodosoma caissarum PE=1 SV=1
5 : APT2_ANTEL 1WXN 0.64 0.79 1 42 1 42 42 0 0 42 P61542 Toxin APETx2 OS=Anthopleura elegantissima PE=1 SV=1
6 : G0W2H8_BUNGR 0.64 0.81 1 42 32 73 42 0 0 74 G0W2H8 U-AITX-Bg1b protein OS=Bunodosoma granulifera GN=U-AITX-Bg1b PE=4 SV=1
7 : G0W2H7_BUNGR 0.60 0.80 3 42 1 40 40 0 0 41 G0W2H7 U-AITX-Bg1a protein (Fragment) OS=Bunodosoma granulifera GN=U-AITX-Bg1a PE=2 SV=1
8 : G0W2I0_BUNGR 0.60 0.79 1 42 32 73 42 0 0 74 G0W2I0 U-AITX-Bgr3c protein OS=Bunodosoma granulifera GN=U-AITX-Bgr3c PE=4 SV=1
9 : G0W2H9_BUNGR 0.55 0.71 1 42 32 73 42 0 0 74 G0W2H9 U-AITX-Bg1c protein OS=Bunodosoma granulifera GN=U-AITX-Bg1c PE=4 SV=1
10 : TX287_BUNCN 0.53 0.64 1 35 1 36 36 1 1 37 P86462 Toxin Bcg III 28.78 (Fragment) OS=Bunodosoma cangicum PE=1 SV=1
11 : TX292_BUNCN 0.53 0.67 1 35 1 36 36 1 1 36 P86464 Toxin Bcg III 29.21 (Fragment) OS=Bunodosoma cangicum PE=1 SV=1
12 : G0W2I1_BUNGR 0.47 0.61 1 38 41 77 38 1 1 79 G0W2I1 U-AITX-Bgr3d protein OS=Bunodosoma granulifera GN=U-AITX-Bgr3d PE=4 SV=1
13 : TXC4_BUNCI 0.45 0.52 1 39 1 40 40 1 1 41 P84919 Neurotoxin BcIV OS=Bunodosoma caissarum PE=1 SV=1
## ALIGNMENTS 1 - 13
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A G 0 0 119 13 0 GGGGGG GGGGGG
2 2 A T + 0 0 80 13 56 TTTTTT TTVVLL
3 3 A T E +A 12 0A 80 14 53 TPTTAPPAPPSPP
4 4 A a E -A 11 0A 13 14 0 CCCCCCCCCCCCC
5 5 A Y E -A 10 0A 161 14 93 YYYKSWFWWKKGD
6 6 A b E > S-A 9 0A 22 14 0 CCCCCCCCCCCCC
7 7 A G T 3 S- 0 0 86 14 38 GGGGGGGGGGGRH
8 8 A K T 3 S+ 0 0 190 14 73 KKSSNKKQQSSGG
9 9 A T E < S-A 6 0A 47 14 60 TTTTSTTTTKKKH
10 10 A I E +A 5 0A 74 14 83 IILLKVVKKKKST
11 11 A G E -A 4 0A 0 14 0 GGGGGGGGGGGGG
12 12 A I E -AB 3 38A 31 14 27 IIIIIIIVVVVIT
13 13 A Y E - B 0 37A 43 14 0 YYYYYYYYYYYYY
14 14 A W E - B 0 36A 65 14 0 WWWWWWWWWWWWW
15 15 A F E S+ B 0 35A 133 14 7 FFFFFFFLYFFFL
16 16 A G S S+ 0 0 73 14 85 GGAAYAAWWggSn
17 17 A T - 0 0 52 13 86 TTVVRLLKMii.y
18 18 A K S S+ 0 0 192 14 95 KKSTPYYIRTTGS
19 19 A T S S- 0 0 96 14 67 TTSSSSSSKGGKK
20 20 A c - 0 0 23 14 0 CCCCCCCCCCCCC
21 21 A P > - 0 0 32 14 0 PPPPPPPPPPPPP
22 22 A S T 3 S+ 0 0 124 14 56 SSSPTGGSSGGGK
23 23 A N T 3 S+ 0 0 111 14 32 NNGGDGGGGGGGG
24 24 A R S < S- 0 0 110 14 79 RRRRRHYYYHHYY
25 25 A G + 0 0 45 14 0 GGGGGGGGGGGGG
26 26 A Y - 0 0 42 14 0 YYYYYYYYYYYYY
27 27 A T + 0 0 127 14 26 TTTTTTTTTKKTT
28 28 A G E -C 39 0A 16 14 20 GGGTGGGGGGGTG
29 29 A S E -C 38 0A 68 14 82 SSHHSHHYNSSYR
30 30 A b E -C 37 0A 37 14 0 CCCCCCCCCCCCC
31 31 A G E -C 36 0A 83 14 73 GGGGRGGGYNSSR
32 32 A Y E > -C 35 0A 117 14 37 YYYYYQHYHYYYY
33 33 A F T 3 S- 0 0 168 14 29 FFFFFFFFFLVVL
34 34 A L T 3 S+ 0 0 146 13 22 LLL LMMMMLLIV
35 35 A G E < S-BC 15 32A 13 13 0 GGG GGGGGGGGG
36 36 A I E -BC 14 31A 16 11 75 IIL TVVLR LS
37 37 A a E -BC 13 30A 0 11 0 CCC CCCCC CC
38 38 A c E -BC 12 29A 0 11 0 CCC CCCCC CC
39 39 A Y E S+ C 0 28A 62 9 30 YY TYYYY Y
40 40 A P S S- 0 0 51 8 0 PP PPPPP
41 41 A V 0 0 69 8 54 VV AAAAA
42 42 A D 0 0 141 8 38 DD DDNGG
## 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 0 100 0 0 0 0 0 0 0 0 0 0 0 0 13 0 0 0.000 0 1.00
2 2 A 15 15 0 0 0 0 0 0 0 0 0 69 0 0 0 0 0 0 0 0 13 0 0 0.831 27 0.44
3 3 A 0 0 0 0 0 0 0 0 14 50 7 29 0 0 0 0 0 0 0 0 14 0 0 1.171 39 0.47
4 4 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
5 5 A 0 0 0 0 7 21 29 7 0 0 7 0 0 0 0 21 0 0 0 7 14 0 0 1.772 59 0.07
6 6 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
7 7 A 0 0 0 0 0 0 0 86 0 0 0 0 0 7 7 0 0 0 0 0 14 0 0 0.509 16 0.61
8 8 A 0 0 0 0 0 0 0 14 0 0 29 0 0 0 0 36 14 0 7 0 14 0 0 1.470 49 0.27
9 9 A 0 0 0 0 0 0 0 0 0 0 7 64 0 7 0 21 0 0 0 0 14 0 0 0.991 33 0.40
10 10 A 14 14 21 0 0 0 0 0 0 0 7 7 0 0 0 36 0 0 0 0 14 0 0 1.631 54 0.16
11 11 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
12 12 A 29 0 64 0 0 0 0 0 0 0 0 7 0 0 0 0 0 0 0 0 14 0 0 0.830 27 0.73
13 13 A 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
14 14 A 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
15 15 A 0 14 0 0 79 0 7 0 0 0 0 0 0 0 0 0 0 0 0 0 14 0 0 0.656 21 0.92
16 16 A 0 0 0 0 0 14 7 36 29 0 7 0 0 0 0 0 0 0 7 0 14 1 3 1.569 52 0.14
17 17 A 15 15 15 8 0 0 8 0 0 0 0 23 0 0 8 8 0 0 0 0 13 0 0 1.992 66 0.14
18 18 A 0 0 7 0 0 0 14 7 0 7 14 21 0 0 7 21 0 0 0 0 14 0 0 1.970 65 0.05
19 19 A 0 0 0 0 0 0 0 14 0 0 43 21 0 0 0 21 0 0 0 0 14 0 0 1.301 43 0.33
20 20 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
21 21 A 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
22 22 A 0 0 0 0 0 0 0 36 0 7 43 7 0 0 0 7 0 0 0 0 14 0 0 1.296 43 0.43
23 23 A 0 0 0 0 0 0 0 71 0 0 0 0 0 0 0 0 0 0 21 7 14 0 0 0.759 25 0.67
24 24 A 0 0 0 0 0 0 36 0 0 0 0 0 0 21 43 0 0 0 0 0 14 0 0 1.061 35 0.20
25 25 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
26 26 A 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
27 27 A 0 0 0 0 0 0 0 0 0 0 0 86 0 0 0 14 0 0 0 0 14 0 0 0.410 13 0.73
28 28 A 0 0 0 0 0 0 0 86 0 0 0 14 0 0 0 0 0 0 0 0 14 0 0 0.410 13 0.80
29 29 A 0 0 0 0 0 0 14 0 0 0 43 0 0 29 7 0 0 0 7 0 14 0 0 1.376 45 0.17
30 30 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 14 0 0 0.000 0 1.00
31 31 A 0 0 0 0 0 0 7 57 0 0 14 0 0 0 14 0 0 0 7 0 14 0 0 1.253 41 0.27
32 32 A 0 0 0 0 0 0 79 0 0 0 0 0 0 14 0 0 7 0 0 0 14 0 0 0.656 21 0.62
33 33 A 14 14 0 0 71 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14 0 0 0.796 26 0.70
34 34 A 8 54 8 31 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 13 0 0 1.091 36 0.77
35 35 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 13 0 0 0.000 0 1.00
36 36 A 18 27 27 0 0 0 0 0 0 0 9 9 0 0 9 0 0 0 0 0 11 0 0 1.673 55 0.24
37 37 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 11 0 0 0.000 0 1.00
38 38 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 11 0 0 0.000 0 1.00
39 39 A 0 0 0 0 0 0 89 0 0 0 0 11 0 0 0 0 0 0 0 0 9 0 0 0.349 11 0.70
40 40 A 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 8 0 0 0.000 0 1.00
41 41 A 38 0 0 0 0 0 0 0 63 0 0 0 0 0 0 0 0 0 0 0 8 0 0 0.662 22 0.46
42 42 A 0 0 0 0 0 0 0 25 0 0 0 0 0 0 0 0 0 0 13 63 8 0 0 0.900 30 0.61
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
10 17 17 1 gQi
11 17 17 1 gQi
13 17 17 1 nYy
//