Complet list of 1cmr hssp file
Complete list of 1cmr.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1CMR
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 2014-04-27
HEADER CURAREMIMETIC PROTEIN 15-MAR-96 1CMR
COMPND MOL_ID: 1; MOLECULE: CHARYBDOTOXIN, ALPHA CHIMERA; CHAIN: A; ENGINEERE
SOURCE MOL_ID: 1; SYNTHETIC: YES; OTHER_DETAILS: THE CHIMERA WAS PREPARED BY
AUTHOR S.ZINN-JUSTIN,M.GUENNEUGUES,E.DRAKOPOULOU,B.GILQUIN,C.VITA, A.MENEZ
DBREF 1CMR A 1 31 UNP P13487 SCKA_LEIQH 7 37
SEQLENGTH 31
NCHAIN 1 chain(s) in 1CMR data set
NALIGN 4
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 : KAX11_LEIQH 4JTA 0.76 0.86 1 29 29 57 29 0 0 59 P13487 Potassium channel toxin alpha-KTx 1.1 OS=Leiurus quinquestriatus hebraeus PE=1 SV=4
2 : KAX1C_LEIQH 0.76 0.83 1 29 29 57 29 0 0 59 P59943 Potassium channel toxin alpha-KTx 1.12 OS=Leiurus quinquestriatus hebraeus PE=3 SV=1
3 : KAX1D_LEIQH 0.66 0.83 1 29 7 35 29 0 0 37 P59944 Potassium channel toxin alpha-KTx 1.13 OS=Leiurus quinquestriatus hebraeus PE=1 SV=1
4 : KAX12_LEIQH 1LIR 0.55 0.86 1 29 29 57 29 0 0 59 P45628 Potassium channel toxin alpha-KTx 1.2 OS=Leiurus quinquestriatus hebraeus PE=1 SV=2
## ALIGNMENTS 1 - 4
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A a 0 0 101 5 0 CCCC
2 2 A T - 0 0 91 5 0 TTTT
3 3 A T S > S- 0 0 74 5 37 TTTA
4 4 A S G > S+ 0 0 55 5 0 SSSS
5 5 A K G 3 S+ 0 0 113 5 37 KKKN
6 6 A E G < S+ 0 0 95 5 27 EEEQ
7 7 A b S < S+ 0 0 1 5 0 CCCC
8 8 A W S S+ 0 0 109 5 0 WWWW
9 9 A S S S+ 0 0 58 5 0 SSSS
10 10 A V S S+ 0 0 52 5 13 VVVI
11 11 A c S > S+ 0 0 20 5 0 CCCC
12 12 A Q T 4 S+ 0 0 95 5 52 QQEK
13 13 A R T 4 S+ 0 0 205 5 17 RRKR
14 14 A L T 4 S+ 0 0 130 5 0 LLLL
15 15 A H S < S- 0 0 109 5 30 HHYH
16 16 A N S S+ 0 0 162 5 0 NNNN
17 17 A T - 0 0 35 5 0 TTTT
18 18 A S + 0 0 56 5 41 SSSN
19 19 A K + 0 0 121 5 55 RIRR
20 20 A G - 0 0 2 5 0 GGGG
21 21 A W - 0 0 125 5 52 KKKK
22 22 A a E +A 27 0A 36 5 0 CCCC
23 23 A D E > -A 26 0A 70 5 71 MMMM
24 24 A H T 3 S+ 0 0 207 5 37 NNNN
25 25 A R T 3 S- 0 0 184 5 26 KKKK
26 26 A G E < -A 23 0A 31 5 59 KKKK
27 27 A b E -A 22 0A 36 5 0 CCCC
28 28 A I - 0 0 35 5 67 RRRR
29 29 A c + 0 0 49 5 0 CCCC
30 30 A E 0 0 91 1 0
31 31 A S 0 0 145 1 0
## 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 0 0 0 0 0 100 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 0 100 0 0 0 0 0 0 0 0 5 0 0 0.000 0 1.00
3 3 A 0 0 0 0 0 0 0 0 20 0 0 80 0 0 0 0 0 0 0 0 5 0 0 0.500 16 0.62
4 4 A 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 5 0 0 0.000 0 1.00
5 5 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 80 0 0 20 0 5 0 0 0.500 16 0.62
6 6 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 20 80 0 0 5 0 0 0.500 16 0.73
7 7 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 5 0 0 0.000 0 1.00
8 8 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
9 9 A 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 5 0 0 0.000 0 1.00
10 10 A 80 0 20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0.500 16 0.86
11 11 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 5 0 0 0.000 0 1.00
12 12 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 20 60 20 0 0 5 0 0 0.950 31 0.48
13 13 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 80 20 0 0 0 0 5 0 0 0.500 16 0.82
14 14 A 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0.000 0 1.00
15 15 A 0 0 0 0 0 0 20 0 0 0 0 0 0 80 0 0 0 0 0 0 5 0 0 0.500 16 0.70
16 16 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 5 0 0 0.000 0 1.00
17 17 A 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 5 0 0 0.000 0 1.00
18 18 A 0 0 0 0 0 0 0 0 0 0 80 0 0 0 0 0 0 0 20 0 5 0 0 0.500 16 0.59
19 19 A 0 0 20 0 0 0 0 0 0 0 0 0 0 0 60 20 0 0 0 0 5 0 0 0.950 31 0.45
20 20 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0.000 0 1.00
21 21 A 0 0 0 0 0 20 0 0 0 0 0 0 0 0 0 80 0 0 0 0 5 0 0 0.500 16 0.48
22 22 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 5 0 0 0.000 0 1.00
23 23 A 0 0 0 80 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 20 5 0 0 0.500 16 0.29
24 24 A 0 0 0 0 0 0 0 0 0 0 0 0 0 20 0 0 0 0 80 0 5 0 0 0.500 16 0.63
25 25 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 20 80 0 0 0 0 5 0 0 0.500 16 0.74
26 26 A 0 0 0 0 0 0 0 20 0 0 0 0 0 0 0 80 0 0 0 0 5 0 0 0.500 16 0.40
27 27 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 5 0 0 0.000 0 1.00
28 28 A 0 0 20 0 0 0 0 0 0 0 0 0 0 0 80 0 0 0 0 0 5 0 0 0.500 16 0.33
29 29 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 5 0 0 0.000 0 1.00
30 30 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 1 0 0 0.000 0 1.00
31 31 A 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 1 0 0 0.000 0 1.00
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
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