Complet list of 1pnh hssp file
Complete list of 1pnh.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1PNH
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 2014-05-06
HEADER TOXIN 25-AUG-93 1PNH
COMPND MOL_ID: 1; MOLECULE: SCORPION TOXIN; CHAIN: A; ENGINEERED: YES
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: ANDROCTONUS MAURETANICUS MAURETANICUS;
AUTHOR S.MEUNIER,J.-M.BERNASSAU,J.-M.SABATIER,M.-F.MARTIN- EAUCLAIRE,J.VAN RI
DBREF 1PNH A 1 31 UNP P31719 SCK5_ANDMA 1 31
SEQLENGTH 31
NCHAIN 1 chain(s) in 1PNH data set
NALIGN 6
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 : KAX52_ANDMA 1PNH 1.00 1.00 1 31 1 31 31 0 0 31 P31719 Potassium channel toxin alpha-KTx 5.2 OS=Androctonus mauretanicus mauretanicus PE=1 SV=1
2 : KAX51_LEIQH 1SCY 0.93 0.93 3 31 3 31 29 0 0 31 P16341 Potassium channel toxin alpha-KTx 5.1 OS=Leiurus quinquestriatus hebraeus PE=1 SV=1
3 : KAX53_MESMA 0.90 0.97 1 31 29 59 31 0 0 61 Q9TVX3 Potassium channel toxin alpha-KTx 5.3 OS=Mesobuthus martensii PE=1 SV=1
4 : KAX55_MESTA 0.83 0.86 3 31 3 31 29 0 0 31 P59870 Potassium channel toxin alpha-KTx 5.5 OS=Mesobuthus tamulus PE=1 SV=1
5 : KAX54_MESTA 2LU9 0.82 0.86 3 30 3 30 28 0 0 31 P59869 Potassium channel toxin alpha-KTx 5.4 OS=Mesobuthus tamulus PE=1 SV=1
6 : B8XH32_BUTOS 0.80 0.90 2 31 30 59 30 0 0 61 B8XH32 Putative potassium channel toxin Tx479 OS=Buthus occitanus israelis PE=4 SV=1
## ALIGNMENTS 1 - 6
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A T 0 0 200 3 73 T A
2 2 A V - 0 0 104 4 20 V V I
3 3 A a - 0 0 27 7 0 CCCCCC
4 4 A N > - 0 0 99 7 0 NNNNNN
5 5 A L H > S+ 0 0 62 7 0 LLLLLL
6 6 A R H > S+ 0 0 200 7 13 RRKRRR
7 7 A R H > S+ 0 0 162 7 23 RMRRRR
8 8 A b H X S+ 0 0 15 7 0 CCCCCC
9 9 A Q H >X S+ 0 0 53 7 41 QQQEEE
10 10 A L H 3X S+ 0 0 90 7 0 LLLLLL
11 11 A S H >< S+ 0 0 71 7 0 SSSSSS
12 12 A c H XX S+ 0 0 8 7 0 CCCCCC
13 13 A R H >< S+ 0 0 170 7 0 RRRRRR
14 14 A S T << S+ 0 0 105 7 0 SSSSSS
15 15 A L T <4 S- 0 0 147 7 0 LLLLLL
16 16 A G S << S+ 0 0 58 7 0 GGGGGG
17 17 A L S S- 0 0 52 7 0 LLLLLL
18 18 A L E -A 29 0A 31 7 0 LLLLLL
19 19 A G E -A 28 0A 0 7 0 GGGGGG
20 20 A K E -A 27 0A 98 7 0 KKKKKK
21 21 A a E -A 26 0A 27 7 0 CCCCCC
22 22 A I E > -A 25 0A 124 7 0 IIIIII
23 23 A G T 3 S- 0 0 77 7 0 GGGGGG
24 24 A V T 3 S+ 0 0 96 7 66 VDDEED
25 25 A K E < -A 22 0A 161 7 71 KKKEET
26 26 A b E -A 21 0A 34 7 0 CCCCCC
27 27 A E E -A 20 0A 140 7 81 EEEKKI
28 28 A c E +A 19 0A 53 7 0 CCCCCC
29 29 A V E -A 18 0A 60 7 0 VVVVVV
30 30 A K 0 0 172 7 74 KKKPPQ
31 31 A H 0 0 183 6 0 HHHH H
## 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 33 0 0 67 0 0 0 0 0 0 0 0 3 0 0 0.637 21 0.27
2 2 A 75 0 25 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0.562 18 0.80
3 3 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
4 4 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 7 0 0 0.000 0 1.00
5 5 A 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
6 6 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 86 14 0 0 0 0 7 0 0 0.410 13 0.86
7 7 A 0 0 0 14 0 0 0 0 0 0 0 0 0 0 86 0 0 0 0 0 7 0 0 0.410 13 0.77
8 8 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
9 9 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 57 43 0 0 7 0 0 0.683 22 0.59
10 10 A 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
11 11 A 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
12 12 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
13 13 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 7 0 0 0.000 0 1.00
14 14 A 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
15 15 A 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
16 16 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
17 17 A 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
18 18 A 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
19 19 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
20 20 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 7 0 0 0.000 0 1.00
21 21 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
22 22 A 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
23 23 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
24 24 A 29 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 29 0 43 7 0 0 1.079 36 0.33
25 25 A 0 0 0 0 0 0 0 0 0 0 0 14 0 0 0 57 0 29 0 0 7 0 0 0.956 31 0.28
26 26 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
27 27 A 0 0 14 0 0 0 0 0 0 0 0 0 0 0 0 29 0 57 0 0 7 0 0 0.956 31 0.19
28 28 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
29 29 A 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7 0 0 0.000 0 1.00
30 30 A 0 0 0 0 0 0 0 0 0 29 0 0 0 0 0 57 14 0 0 0 7 0 0 0.956 31 0.26
31 31 A 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 6 0 0 0.000 0 1.00
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
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