Complet list of 1roo hssp file
Complete list of 1roo.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1ROO
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 2014-05-09
HEADER POTASSIUM CHANNEL INHIBITOR 11-JAN-96 1ROO
COMPND MOL_ID: 1; MOLECULE: SHK TOXIN; CHAIN: A; SYNONYM: SHKTX; ENGINEERED:
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: STICHODACTYLA HELIANTHUS; ORGANISM_TAX
AUTHOR J.E.TUDOR,P.K.PALLAGHY,M.W.PENNINGTON,R.S.NORTON
DBREF 1ROO A 1 35 UNP P29187 TXSHK_STOHE 1 35
SEQLENGTH 35
NCHAIN 1 chain(s) in 1ROO data set
NALIGN 9
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 : TXT1A_STIME 1.00 1.00 1 35 40 74 35 0 0 74 E2S063 Kappa-stichotoxin-Sm1a OS=Stichodactyla mertensii PE=3 SV=1
2 : TXT1A_STOHE 2K9E 1.00 1.00 1 35 1 35 35 0 0 35 P29187 Potassium channel toxin kappa-stichotoxin-She1a OS=Stoichactis helianthus PE=1 SV=1
3 : TXT1A_HETHE 0.97 1.00 1 35 41 75 35 0 0 75 E2S065 Kappa-thalatoxin-Hh1a OS=Heterodactyla hemprichii PE=3 SV=1
4 : TXT1A_STIGI 0.97 1.00 1 35 40 74 35 0 0 74 E2S061 Kappa-stichotoxin-Sg1a OS=Stichodactyla gigantea PE=3 SV=1
5 : TXT1A_STIHA 0.97 1.00 1 35 40 74 35 0 0 74 E2S062 Kappa-stichotoxin-Sha1a OS=Stichodactyla haddoni PE=3 SV=1
6 : TXT1A_THAAS 0.97 1.00 1 35 41 75 35 0 0 75 E2S066 Kappa-thalatoxin-Ta1a OS=Thalassianthus aster PE=3 SV=1
7 : TXT1A_CRYAD 0.94 1.00 1 35 41 75 35 0 0 75 E2S064 Kappa-thalatoxin-Sm1a OS=Cryptodendrum adhaesivum PE=3 SV=1
8 : TXT1A_HETMG 0.63 0.83 1 35 40 74 35 0 0 74 O16846 Potassium channel toxin kappa-stichotoxin-Hm1a OS=Heteractis magnifica PE=1 SV=2
9 : TXT1A_ANEER 0.60 0.80 1 35 49 83 35 0 0 83 Q0EAE5 Potassium channel toxin kappa-actitoxin-Aer1a OS=Anemonia erythraea PE=1 SV=1
## ALIGNMENTS 1 - 9
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A R 0 0 258 10 0 RRRRRRRRR
2 2 A S - 0 0 87 10 63 SSTSSTTTA
3 3 A a + 0 0 45 10 0 CCCCCCCCC
4 4 A I - 0 0 92 10 93 IIIIIIIKK
5 5 A D - 0 0 60 10 0 DDDDDDDDD
6 6 A T S S+ 0 0 113 10 97 TTTTTTTLY
7 7 A I S S- 0 0 32 10 22 IIIIIIIIL
8 8 A P > - 0 0 49 10 0 PPPPPPPPP
9 9 A K G > S+ 0 0 145 10 63 KKKQQKKVK
10 10 A S G 3 S+ 0 0 94 10 0 SSSSSSSSS
11 11 A R G < S+ 0 0 140 10 82 RRRRRRREE
12 12 A b < + 0 0 0 10 0 CCCCCCCCC
13 13 A T >> - 0 0 55 10 0 TTTTTTTTT
14 14 A A H 3> S+ 0 0 74 10 71 AAAAAAADQ
15 15 A F H 3> S+ 0 0 138 10 23 FFFFFFFIF
16 16 A Q H <> S+ 0 0 55 10 60 QQQQQQQRR
17 17 A c H < S+ 0 0 9 10 0 CCCCCCCCC
18 18 A K H < S+ 0 0 165 10 38 KKKKKKKRR
19 19 A H H < S+ 0 0 95 10 89 HHHHHHNTT
20 20 A S >X - 0 0 44 10 0 SSSSSSSSS
21 21 A M H 3> S+ 0 0 121 10 0 MMMMMMMMM
22 22 A K H 3>>S+ 0 0 133 10 0 KKKKKKKKK
23 23 A Y I <4>S+ 0 0 52 10 0 YYYYYYYYY
24 24 A R I <5S+ 0 0 102 10 22 RRRRRRRRK
25 25 A L I <5S- 0 0 69 10 38 LLLLLLLLY
26 26 A S I <5S+ 0 0 51 10 69 SSSSSSSNT
27 27 A F I X + 0 0 0 10 0 CCCCCCCCC
29 29 A R T 3 5 + 0 0 79 10 22 RRRRRRRRK
30 30 A K T 3 5S- 0 0 47 10 0 KKKKKKKKK
31 31 A T T <>5S+ 0 0 71 10 0 TTTTTTTTT
32 32 A c T 45S+ 0 0 32 10 0 CCCCCCCCC
33 33 A G T 4