Complet list of 1ut3 hssp file
Complete list of 1ut3.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1UT3
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 2014-05-10
HEADER ANTIBIOTIC 02-DEC-03 1UT3
COMPND MOL_ID: 1; MOLECULE: SPHENISCIN-2; CHAIN: A; SYNONYM: SPHE-2, PBD-2; O
SOURCE MOL_ID: 1; SYNTHETIC: YES; ORGANISM_SCIENTIFIC: APTENODYTES PATAGONICU
AUTHOR C.LANDON,H.LABBE,C.THOUZEAU,P.BULET,F.VOVELLE
DBREF 1UT3 A 1 38 UNP P83430 SHE2_APTPA 1 38
SEQLENGTH 38
NCHAIN 1 chain(s) in 1UT3 data set
NALIGN 2
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 : SPHE2_APTPA 1UT3 1.00 1.00 1 38 1 38 38 0 0 38 P83430 Spheniscin-2 OS=Aptenodytes patagonicus PE=1 SV=1
2 : SPHE1_APTPA 0.97 1.00 1 38 1 38 38 0 0 38 P83429 Spheniscin-1 OS=Aptenodytes patagonicus PE=1 SV=1
## ALIGNMENTS 1 - 2
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 1 A S 0 0 104 3 0 SS
2 2 A F > + 0 0 90 3 0 FF
3 3 A G T 3 S+ 0 0 62 3 0 GG
4 4 A L T 3 S+ 0 0 155 3 0 LL
5 5 A a S < S+ 0 0 19 3 0 CC
6 6 A R + 0 0 141 3 0 RR
7 7 A L S S+ 0 0 142 3 0 LL
8 8 A R S S- 0 0 208 3 0 RR
9 9 A R S S+ 0 0 135 3 0 RR
10 10 A G - 0 0 3 3 0 GG
11 11 A F E -A 34 0A 47 3 0 FF
12 12 A b E -A 33 0A 39 3 0 CC
13 13 A A E -A 32 0A 3 3 0 AA
14 14 A R S S- 0 0 221 3 66 RH
15 15 A G S S+ 0 0 29 3 0 GG
16 16 A R S S- 0 0 219 3 0 RR
17 17 A c - 0 0 27 3 0 CC
18 18 A R > - 0 0 156 3 0 RR
19 19 A F T 3 S+ 0 0 201 3 0 FF
20 20 A P T 3 S+ 0 0 49 3 0 PP
21 21 A S E < -B 36 0A 10 3 0 SS
22 22 A I E -B 35 0A 73 3 0 II
23 23 A P E +B 34 0A 75 3 0 PP
24 24 A I E - 0 0A 94 3 0 II
25 25 A G E S-B 33 0A 24 3 0 GG
26 26 A R E -B 32 0A 172 3 0 RR
27 27 A b S S- 0 0 0 3 0 CC
28 28 A S S S- 0 0 51 3 0 SS
29 29 A R S S+ 0 0 196 3 0 RR
30 30 A F S S+ 0 0 162 3 0 FF
31 31 A V S S- 0 0 41 3 0 VV
32 32 A Q E -AB 13 26A 49 3 0 QQ
33 33 A a E -AB 12 25A 0 3 0 CC
34 34 A c E -AB 11 23A 0 3 0 CC
35 35 A R E - B 0 22A 79 3 0 RR
36 36 A R E - B 0 21A 104 3 0 RR
37 37 A V 0 0 79 3 0 VV
38 38 A W 0 0 248 3 0 WW
## 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 0 100 0 0 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
2 2 A 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
3 3 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
4 4 A 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
5 5 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
6 6 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 3 0 0 0.000 0 1.00
7 7 A 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
8 8 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 3 0 0 0.000 0 1.00
9 9 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 3 0 0 0.000 0 1.00
10 10 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
11 11 A 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 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 3 0 0 0.000 0 1.00
13 13 A 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
14 14 A 0 0 0 0 0 0 0 0 0 0 0 0 0 33 67 0 0 0 0 0 3 0 0 0.637 21 0.33
15 15 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
16 16 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 3 0 0 0.000 0 1.00
17 17 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
18 18 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 3 0 0 0.000 0 1.00
19 19 A 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
20 20 A 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
21 21 A 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 3 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 3 0 0 0.000 0 1.00
23 23 A 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
24 24 A 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
25 25 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
26 26 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 3 0 0 0.000 0 1.00
27 27 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
28 28 A 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
29 29 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 3 0 0 0.000 0 1.00
30 30 A 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
31 31 A 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
32 32 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 3 0 0 0.000 0 1.00
33 33 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
34 34 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
35 35 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 3 0 0 0.000 0 1.00
36 36 A 0 0 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 3 0 0 0.000 0 1.00
37 37 A 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
38 38 A 0 0 0 0 0 100 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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